mahsasheikh / DrugGenLinks
DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback
☆16Updated last month
Alternatives and similar repositories for DrugGen
Users that are interested in DrugGen are comparing it to the libraries listed below
Sorting:
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- ☆19Updated 2 weeks ago
- Structure-based drug design based on Retrieval Augmented Generation☆17Updated 8 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆14Updated 6 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆16Updated 3 weeks ago
- ☆27Updated 5 months ago
- ☆12Updated 3 years ago
- ☆28Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆24Updated 2 weeks ago
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆14Updated 2 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆12Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆34Updated last year
- ☆18Updated 8 months ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆26Updated 3 years ago
- Official Implementation of CompassDock☆20Updated 8 months ago
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆11Updated last year
- ☆20Updated 2 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- ☆12Updated 11 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆13Updated last year
- ☆48Updated last month
- ☆23Updated 10 months ago
- ☆26Updated 2 years ago
- ☆36Updated 3 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Python API for Pharmer☆12Updated 6 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆9Updated 2 years ago