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FLAML
FLAML PublicForked from microsoft/FLAML
A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.
Jupyter Notebook 1
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gnbr_nexus_comparison
gnbr_nexus_comparison PublicA large-scale evaluation of NLP derived chemical-proteins relationships (GNBR vs Nexus): code for the paper
Python 1
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paccmann_predictor
paccmann_predictor PublicForked from PaccMann/paccmann_predictor
PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction
Python
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TransVAE
TransVAE PublicForked from oriondollar/TransVAE
A Transformer Based VAE Architecture for De Novo Molecular Design
Jupyter Notebook
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chemical_vae
chemical_vae PublicForked from aspuru-guzik-group/chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
Python
Repositories
- FLAML Public Forked from microsoft/FLAML
A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.
- PIRATE Public
This is a repository for the code and methodology associated with the manuscript "PIRATE: Plundering AlphaFold Predictions to Automate Protein Engineering"
- openmeasurement_database Public Forked from wagenrace/openmeasurement_database
https://medium.com/neo4j/create-a-graph-of-chemical-reactions-fe2e6feebdb4
- PRS-Net Public Forked from networkbiology-graphml/PRS-Net
codes for PRS-Net: Interpretable polygenic risk scores via geometric learning
- gnbr_nexus_comparison Public
A large-scale evaluation of NLP derived chemical-proteins relationships (GNBR vs Nexus): code for the paper
- TransVAE Public Forked from oriondollar/TransVAE
A Transformer Based VAE Architecture for De Novo Molecular Design
- dataset Public
- cddd Public Forked from jrwnter/cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
- chemical_vae Public Forked from aspuru-guzik-group/chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
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