Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

A fast implementation of T5/UL2 in PyTorch using Flash Attention

FlashMLA: Efficient Multi-head Latent Attention Kernels

RXN for biochemical reactions

Fast & Simple repository for pre-training and fine-tuning T5-style models

Unsupervised text-to-image generation

Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabi…

A PyTorch implementation of the MMD-VAE, an Information-Maximizing Variational Autoencoder (InfoVAE) based off of the TensorFlow implementation published by the author of the original InfoVAE paper.

Official repository for the paper "Large-scale clinical interpretation of genetic variants using evolutionary data and deep learning". Joint collaboration between the Marks lab and the OATML group.

Official repository for the paper "Large-scale clinical interpretation of genetic variants using evolutionary data and deep learning". Joint collaboration between the Marks lab and the OATML group.

Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies

Bilingual Language Model for Protein Sequence and Structure

Tokenizer for chemnical SMILES and SELFIES for use in transformers models.

Associated Repository for "Translation between Molecules and Natural Language"

TensorFlow code and pre-trained models for BERT

Implementation of Alphafold 3 from Google Deepmind in Pytorch

Janky script for downloading scientific papers in xml or pdf format from a few different providers

A paper describing the implementation of PySR and SymbolicRegression.jl

Learning Activation Functions in Deep (Spline) Neural Networks

Physics Informed Deep Learning: Data-driven Solutions and Discovery of Nonlinear Partial Differential Equations