AspirinCode/awesome-AI4MolConformation-MD

List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

GitHub repository with 295 stars and 26 forks.

Topics: gan, lstm-neural-networks, molecular-dynamics, transformer, vae, proteinconformations, ppi, active-learning, flow, gnns

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2026-06-13: 295 stars and 26 forks.

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