HHW-zhou / LLM4Mol
A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, protein research, and material science.
☆39Updated last year
Alternatives and similar repositories for LLM4Mol:
Users that are interested in LLM4Mol are comparing it to the libraries listed below
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 11 months ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆37Updated 6 months ago
- Papers about Structure-based Drug Design (SBDD)☆101Updated 3 months ago
- ☆63Updated 2 years ago
- ☆52Updated 2 years ago
- ☆73Updated 3 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆66Updated 11 months ago
- ☆35Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- ☆45Updated 4 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆106Updated last year
- generative model for drug discovery☆59Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆59Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆41Updated 5 months ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025☆56Updated 2 months ago
- ☆46Updated 2 years ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆82Updated 10 months ago
- The official implementation of dual-view molecule pre-training.☆41Updated 3 years ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆50Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated 10 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated last year
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆85Updated 6 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆47Updated last week
- 3D_Molecular_Generation☆85Updated 4 months ago
- a multi-property optimization method.☆31Updated 3 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 2 months ago