Computer_aided_drug_disc / Git / Commit [480cb7]

About

Log In Sign Up

Log In Sign Up

Computer_aided_drug_disc

Downloads: 1

Commit [480cb7] main

Initial commit

Authored by: Amanda-D 2025-04-19

Browse code at this revision

Parent: [3a4fbe]

1 2 > >> (Page 1 of 2)

added	10_binding_site_similarity_off_target.ipynb
added	11_API_webservices.ipynb
added	14_pocket_detection.ipynb
added	15_protein_ligand_docking.ipynb
added	16_protein_ligand_interactions.ipynb
added	19_molecular_dynamics.ipynb
added	2_Filtering_Ro5.ipynb
added	3_filtering_substructures.ipynb
added	4_ligand_based_screening.ipynb
added	5_compound_clustering.ipynb
added	6_maximum_common_substructure.ipynb
added	7_ligandbased_screening.ipynb
added	8_protein_data_acquisition_from_PDB.ipynb
added	9_ligandbased_pharmacophores.ipynb
added	Data_aquisition_ChEMBL.ipynb
added	LICENSE
added	ML_1.ipynb
added	ML_2.ipynb
added	ML_3.ipynb
added	ML_4.ipynb
added	ML_5.ipynb
added	ML_6.ipynb
added	ML_7.ipynb
added	ML_7_1_prediction.ipynb
added	README.md

10_binding_site_similarity_off_target.ipynb Diff Switch to side-by-side view

11_API_webservices.ipynb Diff Switch to side-by-side view

14_pocket_detection.ipynb Diff Switch to side-by-side view

15_protein_ligand_docking.ipynb Diff Switch to side-by-side view

16_protein_ligand_interactions.ipynb Diff Switch to side-by-side view

19_molecular_dynamics.ipynb Diff Switch to side-by-side view

2_Filtering_Ro5.ipynb Diff Switch to side-by-side view

3_filtering_substructures.ipynb Diff Switch to side-by-side view

4_ligand_based_screening.ipynb Diff Switch to side-by-side view

5_compound_clustering.ipynb Diff Switch to side-by-side view

6_maximum_common_substructure.ipynb Diff Switch to side-by-side view

7_ligandbased_screening.ipynb Diff Switch to side-by-side view

8_protein_data_acquisition_from_PDB.ipynb Diff Switch to side-by-side view

9_ligandbased_pharmacophores.ipynb Diff Switch to side-by-side view

Data_aquisition_ChEMBL.ipynb Diff Switch to side-by-side view

LICENSE Diff Switch to side-by-side view

ML_1.ipynb Diff Switch to side-by-side view

ML_2.ipynb Diff Switch to side-by-side view

ML_3.ipynb Diff Switch to side-by-side view

ML_4.ipynb Diff Switch to side-by-side view

ML_5.ipynb Diff Switch to side-by-side view

ML_6.ipynb Diff Switch to side-by-side view

ML_7.ipynb Diff Switch to side-by-side view

ML_7_1_prediction.ipynb Diff Switch to side-by-side view

README.md Diff Switch to side-by-side view

1 2 > >> (Page 1 of 2)