Statistics for topic drug-discovery
RepositoryStats tracks 595,858 Github repositories, of these 120 are tagged with the drug-discovery topic. The most common primary language for repositories using this topic is Python (72). Other languages include: Jupyter Notebook (23)
Stargazers over time for topic drug-discovery
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State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
A powerful and flexible machine learning platform for drug discovery
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
A powerful and flexible machine learning platform for drug discovery
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Mixed continous/categorical flow-matching model for de novo molecule generation.
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
Mixed continous/categorical flow-matching model for de novo molecule generation.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Mixed continous/categorical flow-matching model for de novo molecule generation.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
NVIDIA BioNeMo blueprint for generative AI-based virtual screening
Mixed continous/categorical flow-matching model for de novo molecule generation.
Single-Cell (Perturbation) Model Library
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
Uncover meaningful structures of latent spaces learned by generative models with flows!
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
Mixed continous/categorical flow-matching model for de novo molecule generation.
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.