alphaflow. AlphaFold Meets Flow Matching for Generating Protein Ensembles
532mdgen. Generative modeling of molecular dynamics trajectories
221EigenFold. EigenFold: Generative Protein Structure Prediction with Diffusion Models
179subspace-diffusion. Improved diffusion generative models with subspaces
135promera. Biomolecular co-folding, binder filtering, and nanobody design
80switchcraft. SwitchCraft: A Programmatic Framework for Designing State-Switching Proteins
79scalar-fields. Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
32ProDiT.
24tinyprot. A lightweight library for loading and manipulating biomolecular structures
17qcnn-pytorch. Quaternion CNN
9dynaprot. Python
4habsim. Stanford Student Space Initiative High Altitude Balloon Simulator
4