mahsasheikh / DrugGenLinks
DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback
☆17Updated 3 months ago
Alternatives and similar repositories for DrugGen
Users that are interested in DrugGen are comparing it to the libraries listed below
Sorting:
- ☆20Updated 2 weeks ago
- Structure-based drug design based on Retrieval Augmented Generation☆19Updated 11 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 9 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- ☆12Updated 3 years ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆25Updated 3 years ago
- Collection of papers for Molecular Representation using AI☆22Updated this week
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆13Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- Official Implementation of CompassDock☆20Updated 11 months ago
- ☆30Updated 3 weeks ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆29Updated 2 weeks ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 3 months ago
- ☆21Updated 4 months ago
- ☆23Updated last year
- ☆38Updated 3 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆26Updated 8 months ago
- A Light-Weight And Interpretable Molecular Docking Model☆24Updated 10 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 2 years ago
- ☆51Updated 4 months ago
- Baseline model for PPB-Affinity benchmark data☆29Updated 4 months ago
- ☆34Updated last year
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆31Updated last month
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆46Updated 2 weeks ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- ☆27Updated last year