ziyueyang37

RFDesign

Protein hallucination and inpainting with RoseTTAFold

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

wazy

Bayesian Optimization with Pretrained Protein Sequence Models

paper-qa

LLM Chain for answering questions from documents with citations

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

MolecularNodes

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

Coding

Data Structures and Algorithms (DSA) Preparation sheet

dmol-book

Deep learning for molecules and materials book

whitelab-slides

Our reveal.js slide template

emoji-math

A complete waste of time

nmrdata

alphafold

Open source code for AlphaFold.

nmrgnn

Graph neural network for predicting NMR chemical shifts

deeplearning-mindmap

A mindmap summarising Deep Learning concepts.

machine-learning-mindmap

A mindmap summarising Machine Learning concepts, from Data Analysis to Deep Learning.

dm-haiku

JAX-based neural network library

rlax

jax

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