alphafold

QMzyme

QM-based enzyme model generation and validation.

DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

CCSD

Combinatorial Complex Score-based Diffusion model using stochastic differential equations

automlsa2

Automated Multi-Locus Sequence Analysis phylogenetic tree construction software

alphafold2

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details...

aescore

Learning Protein-Ligand Affinity with Atomic Environment Vectors

RFdiffusion

Code for running RFdiffusion

protein_gibbs_sampler

Gibbs sampling for generating protein sequences

tf-bind-transformer

A repository with exploration into using transformers to predict DNA ↔ transcription factor binding

ZMPY3D_PT

Python implementation of 3D Zernike moments with PyTorch

alphageometry