Shihang-Wang-58 / papers_for_molecular_representationLinks
Collection of papers for Molecular Representation using AI
☆22Updated last month
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:
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆16Updated 3 months ago
- ☆38Updated 2 months ago
- ☆34Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 8 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- ☆12Updated 3 years ago
- ☆35Updated last month
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 2 years ago
- ☆62Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆12Updated last year
- List of papers about Peptide research using Deep Learning☆27Updated 4 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- Atom-in-SMILES tokenizer for SMILES strings.☆39Updated last year
- ☆30Updated last year
- ☆37Updated 5 months ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- ☆77Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 5 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆42Updated 10 months ago
- ☆37Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated 11 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆26Updated last year
- A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)☆18Updated 8 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆38Updated 2 months ago
- Baseline model for PPB-Affinity benchmark data☆27Updated 3 months ago