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Computational Drug Discovery Leiden

32 followers
Netherlands
http://www.cddl.nl/
@CDDLeiden

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DrugEx DrugEx Public

De Novo Drug Design with RNNs and Transformers

Jupyter Notebook 101 13
PCMol PCMol Public

Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

Python 35 3
QSPRpred QSPRpred Public

A tool for creating Quantitative Structure Property Relationship (QSPR) models.

Jupyter Notebook 32 7
Papyrus-scripts Papyrus-scripts Public

Forked from OlivierBeq/Papyrus-scripts

Jupyter Notebook 14 2
kinase-modelling kinase-modelling Public

Forked from sohviluukkonen/kinase-modelling

Jupyter Notebook 2
gbmt-splits gbmt-splits Public

Forked from sohviluukkonen/gbmt-splits

A tool to create well-balanced data splits for multi-task learning

Python 2 1

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Showing 10 of 21 repositories

BOO-2024 Public Forked from CDDLeiden/BOO-2023
A collection of introductory materials for BOO students of 2024

0 1 0 0 Updated May 13, 2024
DrugEx Public
De Novo Drug Design with RNNs and Transformers

Jupyter Notebook 101 MIT 13 0 0 Updated May 6, 2024
QSPRpred Public
A tool for creating Quantitative Structure Property Relationship (QSPR) models.

Jupyter Notebook 32 MIT 7 0 0 Updated Apr 11, 2024
gbmt-splits Public Forked from sohviluukkonen/gbmt-splits
A tool to create well-balanced data splits for multi-task learning

Python 2 GPL-3.0 3 0 0 Updated Mar 22, 2024
qsp-bench Public
Example repository for benchmarking of QSAR models with QSPRpred.

Jupyter Notebook 0 0 0 0 Updated Mar 20, 2024
PCMol Public
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

Python 35 MIT 3 0 0 Updated Mar 7, 2024
BOO-2023 Public
A collection of introductory materials for BOO students of 2023

0 1 0 0 Updated Nov 13, 2023
kinase-modelling Public Forked from sohviluukkonen/kinase-modelling

Jupyter Notebook 2 1 0 0 Updated Sep 14, 2023
genui-docker Public Forked from martin-sicho/genui-docker
A repository to build and deploy GenUI docker images. GenUI is a collection of web services for interactive molecular generation, QSAR modelling and chemical space visualization.

Shell 0 7 0 0 Updated Sep 4, 2023
genui-gui Public Forked from martin-sicho/genui-gui
GenUI frontend application. It provides a GUI to the GenUI REST API web services.

JavaScript 0 MIT 7 0 0 Updated Sep 4, 2023

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