Statistics for topic drug-discovery
RepositoryStats tracks 518,325 Github repositories, of these 94 are tagged with the drug-discovery topic. The most common primary language for repositories using this topic is Python (57). Other languages include: Jupyter Notebook (18)
Stargazers over time for topic drug-discovery
Most starred repositories for topic drug-discovery (view more)
Trending repositories for topic drug-discovery (view more)
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 Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
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.
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 Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
SELFormer: Molecular Representation Learning via SELFIES Language Models
Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)
DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins
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
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Searching for structural similarities across billions of molecules in milliseconds
Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
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
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins
Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)