pschwllr

MolecularTransformer

rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping

molli

Molecular Library Toolbox

RL4NMT

Reinforcement Learning for Neural Machine Translation

chemprog

just an example repository

colab-db.github.io

Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics

copier-pylib

template for pure Python libraries. As simple as possible. No magic.

drfp

An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.

GProTorch

graph_maker

llm4chemistry

minimal_project

MolGAN

Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)

my-new-repo

NMT_GAN

generative adversarial nets for neural machine translation

OpenNMT-py

Open Source Neural Machine Translation in PyTorch

practical-programming-in-chemistry-milestones

pschwllr.github.io

Personal webpage

rxn_yields

Code complementing our manuscript on the prediction of chemical reaction yields (http://dx.doi.org/10.26434/chemrxiv.12758474)

rxnfp

Reaction fingerprints, maps and classification

molecule2d

synspace

Synthesis generative model

tensor2tensor

Library of deep learning models and datasets designed to make deep learning more accessible and accelerate ML research.