mahsasheikh / DrugGenLinks
DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback
☆17Updated 4 months ago
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☆31Updated last year
- ☆22Updated last week
- Structure-based drug design based on Retrieval Augmented Generation☆19Updated last year
- ☆12Updated 3 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 9 months ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆25Updated 3 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Collection of papers for Molecular Representation using AI☆24Updated this week
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 weeks ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 6 months ago
- A Deep Learning Framework for Allosteric Site Prediction☆13Updated 4 months ago
- ☆38Updated 4 months ago
- ☆24Updated last year
- ☆21Updated 4 months ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆21Updated 2 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆26Updated 9 months ago
- Code for peptide ligand design with machine learning models.☆28Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆41Updated 4 months ago
- ☆20Updated last year
- ☆26Updated 2 years ago
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆13Updated last year
- ☆37Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- ☆30Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆29Updated last month
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 4 months ago
- Official Implementation of CompassDock☆20Updated last year