oliver's repositories
alphafold
Open source code for AlphaFold.
bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
ColabDesign
Making Protein Design accessible to all via Google Colab!
CSpred
UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.
gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
jax
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
jaxlie
Rigid transforms via Lie groups, in JAX!
jaxpr-viz
Jaxpr Visualisation Tool
openpathsampling
An open source Python framework for transition interface and path sampling calculations.
probability
Probabilistic reasoning and statistical analysis in TensorFlow
proteinfer
Deep networks for protein functional inference
triton
Development repository for the Triton language and compiler