Pinned Repositories
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
MolecularTransformer
molli
Molecular Library Toolbox
RL4NMT
Reinforcement Learning for Neural Machine Translation
rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping
pschwllr's Repositories
pschwllr/MolecularTransformer
pschwllr/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping
pschwllr/molli
Molecular Library Toolbox
pschwllr/RL4NMT
Reinforcement Learning for Neural Machine Translation
pschwllr/chemprog
just an example repository
pschwllr/colab-db.github.io
Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics
pschwllr/copier-pylib
template for pure Python libraries. As simple as possible. No magic.
pschwllr/drfp
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
pschwllr/GProTorch
pschwllr/graph_maker
pschwllr/llm4chemistry
pschwllr/minimal_project
pschwllr/MolGAN
Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
pschwllr/my-new-repo
pschwllr/NMT_GAN
generative adversarial nets for neural machine translation
pschwllr/OpenNMT-py
Open Source Neural Machine Translation in PyTorch
pschwllr/practical-programming-in-chemistry-milestones
pschwllr/pschwllr.github.io
Personal webpage
pschwllr/rxn_yields
Code complementing our manuscript on the prediction of chemical reaction yields (http://dx.doi.org/10.26434/chemrxiv.12758474)
pschwllr/rxnfp
Reaction fingerprints, maps and classification
pschwllr/molecule2d
pschwllr/synspace
Synthesis generative model
pschwllr/tensor2tensor
Library of deep learning models and datasets designed to make deep learning more accessible and accelerate ML research.