Bioprojet Biotech
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s4-for-de-novo-drug-design
s4-for-de-novo-drug-design PublicForked from molML/s4-for-de-novo-drug-design
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admet_ai
admet_ai PublicForked from swansonk14/admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
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molskill
molskill PublicForked from microsoft/molskill
Extracting medicinal chemistry intuition via preference machine learning
Python
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PCMol
PCMol PublicForked from CDDLeiden/PCMol
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
Jupyter Notebook
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DrugFlow
DrugFlow PublicForked from LPDI-EPFL/DrugFlow
Multi-domain Distribution Learning for De Novo Drug Design
Python
Repositories
- libczi Public Forked from ZEISS/libczi
libCZI is an Open Source Cross-Platform C++ library to read and write CZI.
Bioprojet-Biotech/libczi’s past year of commit activity - Uni-Dock Public Forked from dptech-corp/Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
Bioprojet-Biotech/Uni-Dock’s past year of commit activity - PocketXMol Public Forked from pengxingang/PocketXMol
Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
Bioprojet-Biotech/PocketXMol’s past year of commit activity - genmol Public Forked from NVIDIA-BioNeMo/genmol
GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to create valid molecules, which are encoded in the SAFE molecular representation.
Bioprojet-Biotech/genmol’s past year of commit activity - DiffSBDD Public Forked from arneschneuing/DiffSBDD
A Euclidean diffusion model for structure-based drug design.
Bioprojet-Biotech/DiffSBDD’s past year of commit activity - DrugFlow Public Forked from LPDI-EPFL/DrugFlow
Multi-domain Distribution Learning for De Novo Drug Design
Bioprojet-Biotech/DrugFlow’s past year of commit activity - PCMol Public Forked from CDDLeiden/PCMol
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
Bioprojet-Biotech/PCMol’s past year of commit activity - molskill Public Forked from microsoft/molskill
Extracting medicinal chemistry intuition via preference machine learning
Bioprojet-Biotech/molskill’s past year of commit activity - admet_ai Public Forked from swansonk14/admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
Bioprojet-Biotech/admet_ai’s past year of commit activity
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