Pinned 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
oliverdutton's Repositories
oliverdutton/alphafold
Open source code for AlphaFold.
oliverdutton/bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
oliverdutton/ColabDesign
Making Protein Design accessible to all via Google Colab!
oliverdutton/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.
oliverdutton/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.
oliverdutton/jax
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
oliverdutton/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
oliverdutton/jaxlie
Rigid transforms via Lie groups, in JAX!
oliverdutton/jaxpr-viz
Jaxpr Visualisation Tool
oliverdutton/openpathsampling
An open source Python framework for transition interface and path sampling calculations.
oliverdutton/probability
Probabilistic reasoning and statistical analysis in TensorFlow
oliverdutton/proteinfer
Deep networks for protein functional inference
oliverdutton/pallas_visualisation
oliverdutton/triton
Development repository for the Triton language and compiler
oliverdutton/triton-viz