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b/Code/Drug Discovery/ProtGPT2/Protein Generator, kkawchak.ipynb |
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{ |
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"nbformat": 4, |
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"nbformat_minor": 0, |
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"metadata": { |
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"colab": { |
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"provenance": [], |
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"machine_shape": "hm" |
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}, |
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"kernelspec": { |
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"name": "python3", |
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"display_name": "Python 3" |
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}, |
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"language_info": { |
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"name": "python" |
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} |
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}, |
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"cells": [ |
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{ |
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"cell_type": "code", |
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"execution_count": 6, |
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"metadata": { |
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"id": "-oTEyfkwNdmj" |
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}, |
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"outputs": [], |
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"source": [ |
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"# !pip install bio\n", |
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"# from transformers import pipeline\n", |
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"# from Bio import pairwise2\n", |
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"# from Bio.Seq import Seq\n", |
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"# from Bio.SeqUtils import ProtParam\n", |
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"# import time" |
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] |
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}, |
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{ |
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"cell_type": "code", |
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"source": [ |
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"# Ref 1: Hayes, J. Medium, 2023 https://medium.com/labs-notebook/large-language-models-for-drug-discovery-7ddfc005e0bb\n", |
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"# Ref 2: HF Intro, AssemblyAI 2022 https://www.youtube.com/watch?v=QEaBAZQCtwE&t=4s\n", |
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"# Ref 3: ChatGPT3.5 Code assist 2024 https://chat.openai.com/" |
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], |
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"metadata": { |
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"id": "jzr3h73L1w-7" |
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}, |
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"execution_count": 7, |
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"outputs": [] |
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}, |
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{ |
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"cell_type": "code", |
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"source": [ |
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"seconds = time.time()\n", |
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"print(\"Time in seconds since beginning of run:\", seconds)\n", |
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"local_time = time.ctime(seconds)\n", |
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"print(local_time)" |
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], |
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"metadata": { |
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"colab": { |
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"base_uri": "https://localhost:8080/", |
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"height": 0 |
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}, |
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"id": "2K0dcoVBuBGy", |
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"outputId": "80bf40e8-b3b9-4ebd-a6d1-882e734c3733" |
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}, |
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"execution_count": 8, |
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"outputs": [ |
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{ |
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"output_type": "stream", |
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"name": "stdout", |
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"text": [ |
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"Time in seconds since beginning of run: 1712600025.153674\n", |
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"Mon Apr 8 18:13:45 2024\n" |
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] |
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} |
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] |
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}, |
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{ |
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"cell_type": "code", |
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"source": [ |
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"# Function to calculate percent similarity\n", |
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"def calculate_similarity(reference_sequence, generated_sequence):\n", |
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" alignments = pairwise2.align.globalxx(reference_sequence, generated_sequence)\n", |
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" top_alignment = alignments[0]\n", |
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" similarity = (top_alignment[2] / len(reference_sequence)) * 100\n", |
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" return similarity\n", |
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"\n", |
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"# Function to calculate percent similarity based on molecular weights\n", |
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"def calculate_molecular_weight_similarity(reference_sequence, generated_sequence):\n", |
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" try:\n", |
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" if 'X' in generated_sequence:\n", |
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" raise ValueError(\"'X' is not a valid unambiguous letter for protein\")\n", |
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" ref_mw = ProtParam.ProteinAnalysis(reference_sequence).molecular_weight()\n", |
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" gen_mw = ProtParam.ProteinAnalysis(generated_sequence).molecular_weight()\n", |
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" similarity = (1 - abs(ref_mw - gen_mw) / ref_mw) * 100\n", |
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" except ZeroDivisionError:\n", |
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" similarity = 0.0\n", |
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" return similarity\n", |
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"\n", |
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"# Function to calculate percent similarity based on isoelectric points\n", |
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"def calculate_isoelectric_point_similarity(reference_sequence, generated_sequence):\n", |
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" try:\n", |
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" if 'X' in generated_sequence:\n", |
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" raise ValueError(\"'X' is not a valid unambiguous letter for protein\")\n", |
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" ref_pI = ProtParam.ProteinAnalysis(reference_sequence).isoelectric_point()\n", |
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" gen_pI = ProtParam.ProteinAnalysis(generated_sequence).isoelectric_point()\n", |
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" similarity = (1 - abs(ref_pI - gen_pI) / ref_pI) * 100\n", |
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" except ZeroDivisionError:\n", |
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" similarity = 0.0\n", |
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" return similarity\n", |
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"\n", |
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"# Reference sequence\n", |
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"reference_sequence = \"MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\"\n", |
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"\n", |
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"# Calculate original molecular weight and isoelectric point of reference sequence\n", |
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"ref_mw = ProtParam.ProteinAnalysis(reference_sequence).molecular_weight()\n", |
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"ref_pI = ProtParam.ProteinAnalysis(reference_sequence).isoelectric_point()\n", |
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"\n", |
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"# Initialize ProtGPT2 pipeline\n", |
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"protgpt2 = pipeline('text-generation', model=\"nferruz/ProtGPT2\")\n", |
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"\n", |
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"# Generate sequences\n", |
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"sequences = protgpt2(\"\", max_length=200, do_sample=True, top_k=950, repetition_penalty=1.2, num_return_sequences=10, eos_token_id=0)\n", |
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"\n", |
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"# Calculate similarity for each generated sequence\n", |
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"for i, seq in enumerate(sequences):\n", |
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" generated_sequence = seq[\"generated_text\"]\n", |
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"\n", |
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" # Check if generated sequence contains ambiguous letters\n", |
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" if 'X' not in generated_sequence:\n", |
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" # Calculate original molecular weight and isoelectric point of generated sequence\n", |
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" gen_mw = ProtParam.ProteinAnalysis(generated_sequence).molecular_weight()\n", |
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" gen_pI = ProtParam.ProteinAnalysis(generated_sequence).isoelectric_point()\n", |
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"\n", |
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" # Calculate similarity measures\n", |
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" similarity_sequence = calculate_similarity(reference_sequence, generated_sequence)\n", |
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" similarity_mw = calculate_molecular_weight_similarity(reference_sequence, generated_sequence)\n", |
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" similarity_pI = calculate_isoelectric_point_similarity(reference_sequence, generated_sequence)\n", |
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"\n", |
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" # Print results\n", |
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" print(\"#\")\n", |
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" print(\"#\")\n", |
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" print(f\"Reference Sequence: {reference_sequence}\")\n", |
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" print(f\"Generated Sequence {i+1}: {generated_sequence}\")\n", |
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" print(f\"Generated Similarity to Reference: {max(similarity_sequence, 0):.5f}%\")\n", |
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" print(f\"Reference Molecular Weight: {ref_mw:.2f}\")\n", |
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" print(f\"Generated Molecular Weight: {gen_mw:.2f}\")\n", |
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" print(f\"Molecular Weight Similarity: {max(similarity_mw, 0):.5f}%\")\n", |
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" print(f\"Reference Isoelectric Point: {ref_pI:.2f}\")\n", |
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" print(f\"Generated Isoelectric Point: {gen_pI:.2f}\")\n", |
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" print(f\"Isoelectric Point Similarity: {max(similarity_pI, 0):.5f}%\")\n", |
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" print(\"--------------------------\")\n", |
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" else:\n", |
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" print(f\"Generated Sequence {i+1} contains ambiguous letters and cannot be processed.\")" |
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], |
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"metadata": { |
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"colab": { |
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"base_uri": "https://localhost:8080/", |
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"height": 0 |
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}, |
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"id": "JATLuMZMwYOV", |
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"outputId": "490ef4ac-e35b-4027-b727-2d67399ea265" |
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}, |
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"execution_count": 9, |
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"outputs": [ |
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{ |
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"output_type": "stream", |
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"name": "stderr", |
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"text": [ |
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"Truncation was not explicitly activated but `max_length` is provided a specific value, please use `truncation=True` to explicitly truncate examples to max length. Defaulting to 'longest_first' truncation strategy. If you encode pairs of sequences (GLUE-style) with the tokenizer you can select this strategy more precisely by providing a specific strategy to `truncation`.\n", |
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"The attention mask and the pad token id were not set. As a consequence, you may observe unexpected behavior. Please pass your input's `attention_mask` to obtain reliable results.\n", |
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"Setting `pad_token_id` to `eos_token_id`:0 for open-end generation.\n", |
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"A decoder-only architecture is being used, but right-padding was detected! For correct generation results, please set `padding_side='left'` when initializing the tokenizer.\n" |
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] |
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}, |
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{ |
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"output_type": "stream", |
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"name": "stdout", |
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"text": [ |
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"#\n", |
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"#\n", |
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"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
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"Generated Sequence 1: \n", |
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"MPLPKKPFDLSKYTPDSDPDQFWGISPDGDMYVFKSGPFAKDNEDVVDAMLIDAALTVEA\n", |
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"HMDLRRDRLKDEVVIIGFEMDTSDISVESRRKYLDFQNFLLWGNQLLGCSARLLDNLDGS\n", |
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"DEETLMYCHIEPKTHDWVVDNIAHKPVPLPLADGKFIVPASSFMRRTMHFLAKNSGAGMQ\n", |
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"GYMKMIGMSEDEALEEMRKLPDNAEKLMQQQAEFGNAVGRASGFANTMGSAFLGGGANEF\n", |
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"DRQYQETMSNFTESIFKGLDTRDRLLNLLKISQPDFLKFLTMEDFSADLRSAAEAAKAIE\n", |
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"MGNIETSGQPSADQVTTNVTSNPFSDPEGNIATPWQAPVPIASPQRPIIAPAPTENKSRP\n", |
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"PVAAPDYENEPAQALSHPPVAAPAN\n", |
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"\n", |
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"Generated Similarity to Reference: 52.07101%\n", |
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"Reference Molecular Weight: 19063.72\n", |
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"Generated Molecular Weight: 42499.42\n", |
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"Molecular Weight Similarity: 0.00000%\n", |
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"Reference Isoelectric Point: 9.00\n", |
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"Generated Isoelectric Point: 4.62\n", |
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"Isoelectric Point Similarity: 51.29180%\n", |
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"--------------------------\n", |
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"#\n", |
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"#\n", |
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"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
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"Generated Sequence 2: \n", |
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"MPDRLRARRPALLLAGVLGVVLAGGCSSVQAGGGPDATPGGGPAPTTSATIAPAPPATES\n", |
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"PSPSAPPVAVPTPTEPTDEPSPEPFDPGTALAELTDEQGRPEFTAAARVEAFGASHFELT\n", |
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203 |
"VVNDGDGPVTVLFGDAVTVDAAGRDVRGVGRASADDLGGLELGSGESVRAEWSVAECPAL\n", |
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204 |
"SATDAALDVTSTFTFGETGGAVTVVESRDLVAPAERCGPVTDGPVDDQLASVGRSLTTIV\n", |
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"DEDGDAAYEGRIVLTQVGEGRYELQVLNGDGPVTLNGPGGPSVLDADDRVVRGTSVESDP\n", |
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"LGLGIVGPGTPARSVWRVAPECPDIGSVAVGDRFVVEVTVDGEEEVATFTMSDEVRASLD\n", |
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"ALCGA\n", |
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"\n", |
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"Generated Similarity to Reference: 48.52071%\n", |
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"Reference Molecular Weight: 19063.72\n", |
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"Generated Molecular Weight: 36659.98\n", |
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"Molecular Weight Similarity: 7.69763%\n", |
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"Reference Isoelectric Point: 9.00\n", |
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"Generated Isoelectric Point: 4.05\n", |
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"Isoelectric Point Similarity: 44.99647%\n", |
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"--------------------------\n", |
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"#\n", |
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"#\n", |
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"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
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"Generated Sequence 3: \n", |
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"MPPRQTHQTQQLPIQSPQQRIPQQQIQQQQIQQQSQQPVIQQLTNFYNLIPPTFPQSSIP\n", |
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222 |
"PTHPTTSHTPVTPMQHQRSNSLNNLAQPQPTTQPTQPTQQLTQPISSNNILPRLQPSNQT\n", |
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223 |
"QPQSQSQPNQNQNQSQNQNQIQNQNQNPNRLQSTNPNPKQNQFPLPQQQNQNRSPPPQQQ\n", |
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224 |
"NQNRSPNINPLQPLSQQSQFPQHQQKMPPQQKRAPGYLRQPKENTEQKPNIKFNMNQIKI\n", |
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225 |
"KDITSIFKDKNAKYILKKYDEKRIAFMFIRNILSKIKTNQFTKEEDDEFMNYIEDYIKKN\n", |
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226 |
"ENVPINKKTYKALATKIGKPWSEVIKRMSYFRHYKTLKKGIWSKLEDVKLLQAVDQNCKN\n", |
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227 |
"WSTVASQLGSKRSIIDCQQRWKNTVDPKYKRGKFSAEEDSILQKLVTKYGTCWNNITEFL\n", |
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228 |
"PGRVDAQLRVRYSVLNRINKNNPHEKITVKEQIEILKNNEKISVDELFENKKKPKIETNK\n", |
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229 |
"PKEKPKKKIRKTKVVQEEEEEEEVEEEEEESYNDDSIQYSGDDD\n", |
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230 |
"Generated Similarity to Reference: 56.80473%\n", |
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231 |
"Reference Molecular Weight: 19063.72\n", |
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232 |
"Generated Molecular Weight: 61532.45\n", |
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233 |
"Molecular Weight Similarity: 0.00000%\n", |
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234 |
"Reference Isoelectric Point: 9.00\n", |
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235 |
"Generated Isoelectric Point: 9.63\n", |
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"Isoelectric Point Similarity: 93.05520%\n", |
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237 |
"--------------------------\n", |
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"#\n", |
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"#\n", |
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240 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
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241 |
"Generated Sequence 4: \n", |
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242 |
"MAQFYVYMCSGNPLYGGTARFLRILQELGSIDSHRPKRLRLSDLGRDPIWHVTCIAAEDE\n", |
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243 |
"NEAVALSKQWAATAADWPDADLTIRQKLRNWEVATWWDRWLIPVELPDDTRRMIATEVGK\n", |
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244 |
"YIFEQNHQVMCGNPVHGTLRVSRAKRGKGSTKWLPAVLAGEYGTRLPMVCRELRICTRTI\n", |
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245 |
"EKWTKHGYLDLSAEYWDQWHERHIRRKQDPWKPPGGEHEACVRSIRYAAEQAIGTTLLGP\n", |
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246 |
"DAERRRILTYRKRHPELANDQKSTAVDHVILTAAKEIGLTPKRLRYRWGEWRRDCEQEQA\n", |
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247 |
"TTTAGGGTQRHYKDNQPPPPTHHPNGSSLPPFDFLLDECVIPIEVVGMWTQTNYDEDARK\n", |
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248 |
"NRLLEYRLPILEVDGLGKLKFDASGPRVRPDGSTGRKYRESAAIHEHIARERVRKAEVRR\n", |
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249 |
"ERDAEIMRRRREKGWPTSPQSIFTNDWLINHASADGFGVRLILVDSASDLP\n", |
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250 |
"Generated Similarity to Reference: 56.21302%\n", |
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251 |
"Reference Molecular Weight: 19063.72\n", |
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252 |
"Generated Molecular Weight: 54324.99\n", |
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253 |
"Molecular Weight Similarity: 0.00000%\n", |
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254 |
"Reference Isoelectric Point: 9.00\n", |
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255 |
"Generated Isoelectric Point: 9.14\n", |
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256 |
"Isoelectric Point Similarity: 98.48870%\n", |
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257 |
"--------------------------\n", |
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258 |
"#\n", |
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259 |
"#\n", |
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260 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
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261 |
"Generated Sequence 5: \n", |
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262 |
"MQKRPYLQKIVSDHPKEHKDSFKEQNQIEDHNLGKKDIEEDQSYFEPSHSSKQQIFNSEQ\n", |
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263 |
"EKIQEQIFNLKELETIPNQENPEQENQKQKAEQCVGKVSEEMKNRLQNLDGASLPKISQE\n", |
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264 |
"DQKEDQNQEQMKQIENKLAKEKIQEEINKIEEQIKRIKNLENQFQNGQQNLQSQENNQEK\n", |
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265 |
"IKEEIQKKGNLLKNNLEIEIQKLIDLKRQLEEDDLLDNEDFLIEEVDIKEKIDQFEKEQK\n", |
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266 |
"FLIQNEQQKKKIIEEMKREIEKIQEENKEDEIIEKEKEIEKKRNKLEQYRQTLLQKLKNK\n", |
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267 |
"QQALQKQKDILQLKLEEEEEAQLEKQRLLLEKYQELESQYQAELQKQQELQKKLQQEMKL\n", |
|
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268 |
"FQEKDDIIKKQIDLQNKLQQSQEKYQDLQKKQQKLQKEIEELQKQLQQIKQSLKKIKKQA\n", |
|
|
269 |
"EEQQQKKQDQHQKIDNYMNQLEKLKNQQLNLQQQYDQKINQYQTEIENLQREKDRLENYA\n", |
|
|
270 |
"QEKQKQKILENDQKQKLQKMEKDFQNLQNQLDFEKNQIQKMDQEKTALERKIKDLTQQYY\n", |
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271 |
"QKQE\n", |
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|
272 |
"Generated Similarity to Reference: 55.02959%\n", |
|
|
273 |
"Reference Molecular Weight: 19063.72\n", |
|
|
274 |
"Generated Molecular Weight: 66504.96\n", |
|
|
275 |
"Molecular Weight Similarity: 0.00000%\n", |
|
|
276 |
"Reference Isoelectric Point: 9.00\n", |
|
|
277 |
"Generated Isoelectric Point: 5.45\n", |
|
|
278 |
"Isoelectric Point Similarity: 60.54060%\n", |
|
|
279 |
"--------------------------\n", |
|
|
280 |
"#\n", |
|
|
281 |
"#\n", |
|
|
282 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
|
|
283 |
"Generated Sequence 6: \n", |
|
|
284 |
"MTTKATVRELGAWPRSTAHADGNPLIAEAELRATAAPAAAAKAEAASDPYADFREVPEEP\n", |
|
|
285 |
"AATPAPTPIARWRGPRRIALAGGGAAVVTLAAFGIGHWVGTHDTPAATAKAEPQPLAGED\n", |
|
|
286 |
"DGAGETRTCRDGGGTTLVASWNAQAPEVHCEGGGWGSFERTFVTGTKGQRGPAGPRGEQG\n", |
|
|
287 |
"QGGDLRIDAGSTLSATSMTFSGTAAATGTFSFGSTNVDLNVRLSKTASGSYRHFSVSVGQ\n", |
|
|
288 |
"APVGGIGQWGGQVGNALDTHSKQALSELSASSQSLAVSDSTAFASKSGVRWTAGVRVPGT\n", |
|
|
289 |
"SGKVTMTAVRAALTKS\n", |
|
|
290 |
"\n", |
|
|
291 |
"Generated Similarity to Reference: 43.19527%\n", |
|
|
292 |
"Reference Molecular Weight: 19063.72\n", |
|
|
293 |
"Generated Molecular Weight: 31884.84\n", |
|
|
294 |
"Molecular Weight Similarity: 32.74594%\n", |
|
|
295 |
"Reference Isoelectric Point: 9.00\n", |
|
|
296 |
"Generated Isoelectric Point: 8.01\n", |
|
|
297 |
"Isoelectric Point Similarity: 88.97398%\n", |
|
|
298 |
"--------------------------\n", |
|
|
299 |
"#\n", |
|
|
300 |
"#\n", |
|
|
301 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
|
|
302 |
"Generated Sequence 7: \n", |
|
|
303 |
"MSTLRELACRARELARRRAAATRTALAAALLIVLAPALAGAGSASSGPAVSGGARSSGPG\n", |
|
|
304 |
"VSPGPWVSPSPAPPVAAVRLRPVSGVAETARRPLSSAAGGPSGAVTAGGGAGRPRGDATT\n", |
|
|
305 |
"GAGAAGSTAGG\n", |
|
|
306 |
"\n", |
|
|
307 |
"Generated Similarity to Reference: 29.58580%\n", |
|
|
308 |
"Reference Molecular Weight: 19063.72\n", |
|
|
309 |
"Generated Molecular Weight: 12171.62\n", |
|
|
310 |
"Molecular Weight Similarity: 63.84703%\n", |
|
|
311 |
"Reference Isoelectric Point: 9.00\n", |
|
|
312 |
"Generated Isoelectric Point: 12.00\n", |
|
|
313 |
"Isoelectric Point Similarity: 66.67843%\n", |
|
|
314 |
"--------------------------\n", |
|
|
315 |
"#\n", |
|
|
316 |
"#\n", |
|
|
317 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
|
|
318 |
"Generated Sequence 8: \n", |
|
|
319 |
"ARYALDEYRARLHLPASLLLKLLRWLSVRWSRGDRLIVVSEFLRRRAQAAGYSGPPFIVP\n", |
|
|
320 |
"NLVDGAFFAPPSDAGVATAASARSGTDAAPPAILFTATPSYRKGGATLIALAARLADEEP\n", |
|
|
321 |
"GLRFVAAGHPLRPDVPGVEILGSLSREEIPRHMAACDIFLLPTLYDPCSTAQLEALACGL\n", |
|
|
322 |
"PVVTTRRGGLPEMVDEGAGLILDDADPRGFAAGLGRLLGRPGLRAAMGRAGLAAAERYSM\n", |
|
|
323 |
"DRWRATARAAIEAALAGPTAGREGEPGPAPERDLRARLEAEARGRAPLAAPAGERPVILF\n", |
|
|
324 |
"DVTDHYGGTERVVLNFLRGLDGTAVESYLIYNPGPGLRARTDALDVSTVPVTATGRPGSL\n", |
|
|
325 |
"ARWTAARLARRIRLERPDLVHTHDVSALGTGIAARLLGLPCVVHTEHGFWADPDLAATRY\n", |
|
|
326 |
"SYLLRLAAWLTSRAVTVNDHVRDWLLARHGLSPGKVRTIHNGIAWAPGGDPAAARAMLAA\n", |
|
|
327 |
"TRPGGRAVLGIVGRLVEAKGQHHLVAALREVRRRGVDLPCLIAGDGPM\n", |
|
|
328 |
"Generated Similarity to Reference: 54.43787%\n", |
|
|
329 |
"Reference Molecular Weight: 19063.72\n", |
|
|
330 |
"Generated Molecular Weight: 56104.81\n", |
|
|
331 |
"Molecular Weight Similarity: 0.00000%\n", |
|
|
332 |
"Reference Isoelectric Point: 9.00\n", |
|
|
333 |
"Generated Isoelectric Point: 9.85\n", |
|
|
334 |
"Isoelectric Point Similarity: 90.58699%\n", |
|
|
335 |
"--------------------------\n", |
|
|
336 |
"#\n", |
|
|
337 |
"#\n", |
|
|
338 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
|
|
339 |
"Generated Sequence 9: \n", |
|
|
340 |
"MIANGTQNIFRLLYCRHNLLRFVQQGTSGYGLYMKFAISQIFLPKLPTPPIHNLSADFDL\n", |
|
|
341 |
"HFAMFSGSSFARAEANLAGFLLRANMEGAILREADLRRAQLCKAILENAVLGRVNLEYSN\n", |
|
|
342 |
"LQKAIFDGATINGAVFFRTLMTDTKIDDAVLERTLFYLSQMRQAKFRL\n", |
|
|
343 |
"\n", |
|
|
344 |
"Generated Similarity to Reference: 35.50296%\n", |
|
|
345 |
"Reference Molecular Weight: 19063.72\n", |
|
|
346 |
"Generated Molecular Weight: 19002.91\n", |
|
|
347 |
"Molecular Weight Similarity: 99.68107%\n", |
|
|
348 |
"Reference Isoelectric Point: 9.00\n", |
|
|
349 |
"Generated Isoelectric Point: 9.64\n", |
|
|
350 |
"Isoelectric Point Similarity: 92.93129%\n", |
|
|
351 |
"--------------------------\n", |
|
|
352 |
"#\n", |
|
|
353 |
"#\n", |
|
|
354 |
"Reference Sequence: MSKGEEVQNLFASGFRLDSAKTAAVLYGLDAGNSLSGGQPLFFSGLKPRQGVRKIAKELKVRMMDPNFIRVSGRSGKQVTMNEEAVSEFYELQGKINTFIKIVNTKEITFHKEFQYKDDPLPNKRNTIVADYFEKVLMVDNARLIAETTKPVLDAYKMDKVSNEVFVEV\n", |
|
|
355 |
"Generated Sequence 10: \n", |
|
|
356 |
"MSLLTKFFSLTAGFAFLGTPTAVVAASGDAEGQATPVTMTLYHMNGDSYYDDTFHEPVDA\n", |
|
|
357 |
"LAYGDTIDPMRLFIDDEKVPVRHYTYRLLRQTNGTWTELAGAYDSSSGIPVFDGTYSADV\n", |
|
|
358 |
"TLNDGTIFTDVAENVCSSLGFGETETRSVTNIVVSPEELEIYQAAYAQSDGTMSFPETDV\n", |
|
|
359 |
"GDKVQALLSPTSSDGWYLMDTANNEWIPGQFFYAAGSTVASPANPGGTQSVVVVDPLTID\n", |
|
|
360 |
"LYNARYNYTDRSMSFPSPGLGDKVENLLWPRTAVGWYYMDATSSEWVPMQFFYTGPSVVT\n", |
|
|
361 |
"SANPAATQTATNVVVNPSDLALYIGAYQYAGGQLSFTSPTAGDKISALLLPTTSSGWYVM\n", |
|
|
362 |
"DTNANEWIPMQYFYTGTSVTTSANPADTQRATQVIVSPNDLAAYVDAYSYSGEHLSFPVA\n", |
|
|
363 |
"EIGDKVQALTSPPTSAGWNLMTTNSGEWVPERFFYSGPDVTTSANPEGTQRNVQVVVSES\n", |
|
|
364 |
"HLSLYQSAYQSSGGVLSFANADAGDKLQALLSPVTSTG\n", |
|
|
365 |
"Generated Similarity to Reference: 57.39645%\n", |
|
|
366 |
"Reference Molecular Weight: 19063.72\n", |
|
|
367 |
"Generated Molecular Weight: 55695.67\n", |
|
|
368 |
"Molecular Weight Similarity: 0.00000%\n", |
|
|
369 |
"Reference Isoelectric Point: 9.00\n", |
|
|
370 |
"Generated Isoelectric Point: 4.06\n", |
|
|
371 |
"Isoelectric Point Similarity: 45.07098%\n", |
|
|
372 |
"--------------------------\n" |
|
|
373 |
] |
|
|
374 |
} |
|
|
375 |
] |
|
|
376 |
}, |
|
|
377 |
{ |
|
|
378 |
"cell_type": "code", |
|
|
379 |
"source": [ |
|
|
380 |
"seconds = time.time()\n", |
|
|
381 |
"print(\"Time in seconds since end of run:\", seconds)\n", |
|
|
382 |
"local_time = time.ctime(seconds)\n", |
|
|
383 |
"print(local_time)" |
|
|
384 |
], |
|
|
385 |
"metadata": { |
|
|
386 |
"colab": { |
|
|
387 |
"base_uri": "https://localhost:8080/", |
|
|
388 |
"height": 0 |
|
|
389 |
}, |
|
|
390 |
"id": "TkiND_HHuERP", |
|
|
391 |
"outputId": "5c79281e-2d3e-4d5b-ab50-bda16d3a2c1d" |
|
|
392 |
}, |
|
|
393 |
"execution_count": 10, |
|
|
394 |
"outputs": [ |
|
|
395 |
{ |
|
|
396 |
"output_type": "stream", |
|
|
397 |
"name": "stdout", |
|
|
398 |
"text": [ |
|
|
399 |
"Time in seconds since end of run: 1712600082.4905665\n", |
|
|
400 |
"Mon Apr 8 18:14:42 2024\n" |
|
|
401 |
] |
|
|
402 |
} |
|
|
403 |
] |
|
|
404 |
} |
|
|
405 |
] |
|
|
406 |
} |