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Commit [1aa732]

Initial commit

Authored by: Amanda-D 2025-04-19

Browse code at this revision

Parent: [8997bc]

Child: [6eeb30]

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added	.github/workflows/ci.yml
added	.gitignore
added	.readthedocs.yml
added	CHANGELOG.md
added	LICENSE
added	README.md
added	docs/Makefile
added	docs/README.md
added	docs/make.bat
added	docs/requirements.txt
added	docs/source/conf.py
added	docs/source/derivation.rst
added	docs/source/index.rst
added	docs/source/selfies.rst
added	docs/source/tutorial.ipynb
added	examples/VAE_LS_Validity.png
added	examples/benchmark_v2_1_1.ipynb
added	examples/selfies_indice.png
added	examples/vae_example/README.md
added	examples/vae_example/chemistry_vae.py
added	examples/vae_example/data_loader.py
added	examples/vae_example/datasets/0SelectedSMILES_QM9.txt
added	examples/vae_example/datasets/README.md
added	examples/vae_example/datasets/dataB_NonFullerene.txt
added	examples/vae_example/datasets/dataJ_250k_rndm_zinc_drugs_clean.txt

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docs/source/derivation.rst Diff Switch to side-by-side view

docs/source/index.rst Diff Switch to side-by-side view

docs/source/selfies.rst Diff Switch to side-by-side view

docs/source/tutorial.ipynb Diff Switch to side-by-side view

examples/VAE_LS_Validity.png

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examples/benchmark_v2_1_1.ipynb Diff Switch to side-by-side view

examples/selfies_indice.png

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examples/vae_example/README.md Diff Switch to side-by-side view

examples/vae_example/chemistry_vae.py Diff Switch to side-by-side view

examples/vae_example/data_loader.py Diff Switch to side-by-side view

examples/vae_example/datasets/0SelectedSMILES_QM9.txt Diff Switch to side-by-side view

examples/vae_example/datasets/README.md Diff Switch to side-by-side view

examples/vae_example/datasets/dataB_NonFullerene.txt Diff Switch to side-by-side view

examples/vae_example/datasets/dataJ_250k_rndm_zinc_drugs_clean.txt Diff Switch to side-by-side view

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