Generative modeling of molecular dynamics trajectories

RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching

Chai-1, SOTA model for biomolecular structure prediction

RoseTTAFold2 protein/nucleic acid complex prediction

Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module

Listing of papers about machine learning for proteins.

Diffusion models of protein structure; trigonometry and attention are all you need!

Code for CELL-E: Biological Zero-Shot Text-to-Image Synthesis for Protein Localization Prediction

Example implementations of common machine learning projects in chemistry.

UROP Project @ Coley Group

EigenPro Iteration in PyTorch