Shihang-Wang-58 / papers_for_molecular_representationLinks
Collection of papers for Molecular Representation using AI
☆29Updated this week
Alternatives and similar repositories for papers_for_molecular_representation
Users that are interested in papers_for_molecular_representation are comparing it to the libraries listed below
Sorting:
- ☆39Updated 5 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆34Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 7 months ago
- ☆33Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆17Updated 10 months ago
- ☆23Updated last month
- ☆63Updated 3 years ago
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆18Updated 5 months ago
- PoseX: A Molecular Docking Benchmark☆59Updated 4 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆26Updated last year
- ☆37Updated 4 months ago
- ☆40Updated 7 months ago
- ☆12Updated 3 years ago
- ☆79Updated last year
- Baseline model for PPB-Affinity benchmark data☆31Updated 5 months ago
- ☆15Updated 4 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆43Updated 5 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- ☆38Updated 4 years ago
- ☆51Updated 11 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆13Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆52Updated 5 months ago
- ☆24Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- Fragment-based Molecular Expansion☆25Updated last year