Web-based molecule sketcher

Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps

jax library for E3 Equivariant Neural Networks

A repo for analysis of ensembles of protein-ligand complexes

Software for macromolecular model-building

Predict multiple protein conformations using sequence clustering and AlphaFold2.

Useful scripts for analyzing diffraction

Tools for exploring reciprocal space

Pre-processing and data management for serial electron diffraction data.

Official implementation of "Implicit Neural Representations with Periodic Activation Functions"

Vagabond - structure refinement from scratch

code for representing the geometry of scattering experiments

Differentiable, Hardware Accelerated, Molecular Dynamics

disentanglement_lib is an open-source library for research on learning disentangled representations.

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

Magenta: Music and Art Generation with Machine Intelligence

VAEs with Lie Group latent space

repository of notebooks for cryoEM

Data analysis repository for experiments at SwissFEL between Jan 27- Feb 4, 2019 (proposal number: 20181820)

code to facilitate production of LCLS small data files and the analysis thereof

Python Display Manager