IanevskiAleksandr / DECREASELinks
☆10Updated 6 years ago
Alternatives and similar repositories for DECREASE
Users that are interested in DECREASE are comparing it to the libraries listed below
Sorting:
- ☆38Updated 4 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- ☆17Updated 5 years ago
- ☆65Updated 3 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 3 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- ☆10Updated 2 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- ☆17Updated 3 years ago
- a deep learning architecture for RNA-ligand binding sites prediction☆19Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- ☆45Updated 4 years ago
- ☆26Updated 8 months ago
- Cross-modal generation of molecules from gene expression inputs. (Briefings in Bioinformatics 2024)☆11Updated 9 months ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆31Updated 6 months ago
- JAEGER is a deep generative approach for small-molecule design☆30Updated 4 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 3 years ago
- Recursion's molecular foundation model☆66Updated 8 months ago
- substructure search in large combinatorial spaces using openchemlib☆22Updated 3 weeks ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated last year
- Accurate ADMET Prediction with XGBoost☆40Updated 2 years ago
- ☆19Updated last year
- ☆28Updated 3 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆77Updated last year
- My (small) research project in solubility of drug-like molecules☆17Updated 5 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆73Updated 11 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆24Updated 3 months ago