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OpenMM is a toolkit for molecular simulation using high performance GPU code.
Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.
Export saved Reddit posts into a HTML file for import into Google Chrome.
Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
Documentation for the Koes Research Group. Most likely woefully inadequate.
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
WebGL accelerated JavaScript molecular graphics library
🚴 Call stack profiler for Python. Shows you why your code is slow!
Python 3.8+ toolbox for submitting jobs to Slurm
Singularity recipe for AlphaFold
Open source code for AlphaFold 2.
QuickLookProtein is a macOS Quick Look extension to preview protein/3D structure files (PDB, SDF, CIF).
Building more accurate protein structures from backbone torsion angles
Pretrain, finetune ANY AI model of ANY size on 1 or 10,000+ GPUs with zero code changes.
Noise suppression plugin based on Xiph's RNNoise
A Python package for common-nearest-neighbours clustering
Simple and unobtrusive menu bar timer for macOS.
Making Protein folding accessible to all!
Massively-Parallel Natural Extension of Reference Frame
parallel graph management and execution in heterogeneous computing
Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
A general purpose YNAB enhancing browser extension for Chrome and Firefox. Have it your way!