Statistics for topic drug-discovery
RepositoryStats tracks 561,680 Github repositories, of these 109 are tagged with the drug-discovery topic. The most common primary language for repositories using this topic is Python (65). Other languages include: Jupyter Notebook (21)
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.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
SELFormer: Molecular Representation Learning via SELFIES Language Models
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
SELFormer: Molecular Representation Learning via SELFIES Language Models
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
Deploy a solution to research on drug discovery problems using quantum computing and classical computing resources.
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
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.