lujiarui / Str2Str Star 55 Code Issues Pull requests Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024) molecular-dynamics computational-biology pytorch molecular-simulation generative-models diffusion-models conformation-generation Updated Mar 7, 2024 Python
MinkaiXu / CGCF-ConfGen Star 44 Code Issues Pull requests 🧪 Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021) molecule pytorch conformation iclr conformer iclr2021 conformation-generation Updated Aug 3, 2021 Python