Stars
Using data from PDBePISA with the convenience of Python and Jupyter.
Bayesian Illumination is an accelerated generative model for optimization of small molecules.
Tools to automatically convert and proccess cdx and cdxml files in python
modal-labs / biomodals
Forked from hgbrian/biomodalsbioinformatics tools running on modal
Computational fluorine scanning built on OpenMM with Python.
[NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
CosolvKit is a versatile tool for cosolvent MD preparation and analysis
Python interface for the RCSB PDB search API.
A comprehensive toolkit for predicting free energies
Modern C++ Programming Course (C++03/11/14/17/20/23/26)
A generative model for programmable protein design
Python-based Informatics Kit for Analysing Chemical Units
An open-source Python package for creating fast and accurate interatomic potentials.
An easy-to-use Python library for processing and manipulating 3D point clouds and meshes.
core data models of the Open Free Energy ecosystem