mengtinghuang Goto Github PK

pepscaf

progen

Official release of the ProGen models

prollama

A Protein Large Language Model for Multi-Task Protein Language Processing

proteinmpnn

Code for the ProteinMPNN paper

pytorch_geometric

Graph Neural Network Library for PyTorch

reaction-translation

organic chemistry reaction prediction using NMT

reaction_prediction_seq2seq

retrotrae

Retrosynthetic prediction with Atom Environments

rf_diffusion_all_atom

Public RFDiffusionAA repo

rxnfp

Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

transformer-model-for-prediction-in-low-chemical-data-regimes

This is the code for "Data augmentation and transfer learning strategies for reaction prediction in low chemical data regimes" paper.

ugatit

Official Tensorflow implementation of U-GAT-IT: Unsupervised Generative Attentional Networks with Adaptive Layer-Instance Normalization for Image-to-Image Translation