Alex Morehead

awesome-molecular-generation. Awesome papers related to generative molecular modeling and design.

jvp_flash_attention. Flash Attention Triton kernel with support for second-order derivatives

awesome-generative-flows. Awesome papers related to generative flow matching and its applications in bioinformatics. (Nature Machine Intelligence)

alphafold3-pytorch-lightning-hydra. Implementation of AlphaFold 3 in PyTorch Lightning + Hydra

alphafold_non_docker. Open source code for AlphaFold.

EGNN-DGL. An implementation of the Equivariant Graph Neural Network (EGNN) layer type for DGL-PyTorch.

awesome-equivariant-network. Paper list for equivariant neural network

lightning-hydra-template. PyTorch Lightning + Hydra. A very user-friendly template for rapid and reproducible ML experimentation with best practices. ⚡🔥⚡

realtor-estate-py. A Python web scraper written to help collect probate real estate data in an automated manner.

SSL-With-DR-And-GNNs. [IEEE ICMLA '23] Semi-supervised learning with dimensionality reduction and graph neural networks.

dots. A collection of dot configuration files for personal use.

NeiA-PyTorch. An open-source PyTorch implementation of the Neighborhood Averaging (NeiA) GNN layer.

Equivariant-GNNs. An environment for running experiments with equivariant GNN architectures

lightning. Deep learning framework to train, deploy, and ship AI products Lightning fast.

FoldFlow. Code release for our recent paper "SE(3)-Stochastic Flow Matching for Protein Backbone Generation" https://arxiv.org/abs/2310.02391

RoseTTAFold-All-Atom. Python

amorehead. My GitHub profile header.

gdown. Google Drive Public File Downloader when Curl/Wget Fails

ZClip. Official implementation of the paper: "ZClip: Adaptive Spike Mitigation for LLM Pre-Training".

plinder. Protein Ligand INteraction Dataset and Evaluation Resource

awesome-docking. An awesome & curated list of docking papers

e3nn. A modular framework for neural networks with Euclidean symmetry

MLForEveryone. A series of tutorials on learning Machine Learning using the Python programming language, for everyone!

ml-fundamentals. A self-educational series of Python scripts made to explore the vast library of machine learning knowledge.

DiffSBDD. A Euclidean diffusion model for structure-based drug design.

neurips19-graph-protein-design. Generative Models for Graph-Based Protein Design

amorehead.github.io. Personal website (based on al-folio)

machine-learning-examples. A collection of tutorials on how to run Machine Learning Workloads at Pawsey.

MMDiff. Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion

projectdjenga. A Django-based web application created for educational purposes.

alphafold3. AlphaFold 3 inference pipeline.

geometric-rna-design. Multi-State RNA Design with Geometric Multi-Graph Neural Networks