22 dependents
Package Description Downloads/month
Library for munging data files from ClusPro/FTMap/etc. 1K
Personal protein processing tool collections 868
Matcha: Multi-Stage Riemannian Flow Matching for Accurate and Physically Valid M... 790
Ancestral sequence reconstruction using a tree structured Ornstein Uhlenbeck var... 766
Comprehensive benchmarking of protein-ligand structure prediction methods 650
Flow Gym 618
3D visualization of proteins 577
a pip installable version of LigandMPNN with pre-trained models included 430
A Python package to calculate, visualize and analyze correlation maps of protein... 374
A comprehensive accurate assessment approach for deep learning based molecular d... 297
A drop-in replacement for Rosetta Relax 289
Calculates single residue frustration, and mutational frustration of proteins. 274
fpocketR is a modified version of fpocket 4.0 and is optimized for finding, char... 254
Python program, based on Prody, for pathogenicity prediction of human missense v... 230
Diffusion Gym: Library for reward adaptation of any pre-trained diffusion or flo... 190
Web-based MD simulation pipeline with AMBER, ESMFold, docking, and PLUMED 188
A library of utilities for working with proteins 186
111
Monte Carlo Protein Energy Landscape Exploration (PELE) coupled with Markov Stat... 111
DeepFrag2: A Deep Learning Framework for Fragment-Based Lead Optimization 109
PySteMoDA 108
Comprehensive ensembling of protein-ligand structure and affinity prediction met... 85