Statistics for topic drug-discovery
RepositoryStats tracks 584,796 Github repositories, of these 117 are tagged with the drug-discovery topic. The most common primary language for repositories using this topic is Python (70). Other languages include: Jupyter Notebook (23)
Stargazers over time for topic drug-discovery
Most starred repositories for topic drug-discovery (view more)
Trending repositories for topic drug-discovery (view more)
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
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
SELFormer: Molecular Representation Learning via SELFIES Language Models
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
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
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
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
Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
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.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Mixed continous/categorical flow-matching model for de novo molecule generation.
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.