Skip to content
@Evotec-isRD

Evotec-isRD

Evotec's in silico R&D department public repository

Popular repositories Loading

  1. PIRATE PIRATE Public

    This is a repository for the code and methodology associated with the manuscript "PIRATE: Plundering AlphaFold Predictions to Automate Protein Engineering"

    Python 4 1

  2. FLAML FLAML Public

    Forked from microsoft/FLAML

    A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.

    Jupyter Notebook 1

  3. gnbr_nexus_comparison gnbr_nexus_comparison Public

    A large-scale evaluation of NLP derived chemical-proteins relationships (GNBR vs Nexus): code for the paper

    Python 1

  4. paccmann_predictor paccmann_predictor Public

    Forked from PaccMann/paccmann_predictor

    PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction

    Python

  5. TransVAE TransVAE Public

    Forked from oriondollar/TransVAE

    A Transformer Based VAE Architecture for De Novo Molecular Design

    Jupyter Notebook

  6. chemical_vae chemical_vae Public

    Forked from aspuru-guzik-group/chemical_vae

    Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

    Python

Repositories

Showing 10 of 12 repositories
  • FLAML Public Forked from microsoft/FLAML

    A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.

    Evotec-isRD/FLAML’s past year of commit activity
    Jupyter Notebook 1 MIT 539 0 0 Updated Mar 6, 2025
  • GNN-MorphMap Public

    Knowledge graph analysis scripts associated with the MorphMap Project

    Evotec-isRD/GNN-MorphMap’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Nov 29, 2024
  • PIRATE Public

    This is a repository for the code and methodology associated with the manuscript "PIRATE: Plundering AlphaFold Predictions to Automate Protein Engineering"

    Evotec-isRD/PIRATE’s past year of commit activity
    Python 4 1 0 0 Updated Oct 4, 2024
  • openmeasurement_database Public Forked from wagenrace/openmeasurement_database

    https://medium.com/neo4j/create-a-graph-of-chemical-reactions-fe2e6feebdb4

    Evotec-isRD/openmeasurement_database’s past year of commit activity
    Jupyter Notebook 0 2 0 0 Updated Jul 15, 2024
  • PRS-Net Public Forked from networkbiology-graphml/PRS-Net

    codes for PRS-Net: Interpretable polygenic risk scores via geometric learning

    Evotec-isRD/PRS-Net’s past year of commit activity
    Python 0 1 0 0 Updated Feb 16, 2024
  • gnbr_nexus_comparison Public

    A large-scale evaluation of NLP derived chemical-proteins relationships (GNBR vs Nexus): code for the paper

    Evotec-isRD/gnbr_nexus_comparison’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Jul 17, 2023
  • TransVAE Public Forked from oriondollar/TransVAE

    A Transformer Based VAE Architecture for De Novo Molecular Design

    Evotec-isRD/TransVAE’s past year of commit activity
    Jupyter Notebook 0 MIT 25 0 0 Updated May 18, 2023
  • dataset Public
    Evotec-isRD/dataset’s past year of commit activity
    0 0 0 0 Updated May 11, 2023
  • 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.

    Evotec-isRD/cddd’s past year of commit activity
    Python 0 MIT 73 0 0 Updated Apr 13, 2023
  • chemical_vae Public Forked from aspuru-guzik-group/chemical_vae

    Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

    Evotec-isRD/chemical_vae’s past year of commit activity
    Python 0 Apache-2.0 185 0 0 Updated Mar 24, 2023
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…