Token-Mol 1.0：tokenized drug design with large language model
☆67Jun 1, 2026Updated 5 months ago
Alternatives and similar repositories for Token-Mol
Users that are interested in Token-Mol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆22May 22, 2025Updated last year
- ☆80Nov 7, 2025Updated 11 months ago
- 3D_Molecular_Generation☆117Nov 23, 2024Updated last year
- ☆18May 16, 2026Updated 5 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆63Sep 6, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆351Jan 10, 2024Updated 2 years ago
- ☆17Mar 27, 2026Updated 7 months ago
- ☆47Jun 23, 2026Updated 4 months ago
- Official repository for MolCRAFT series☆160Oct 27, 2025Updated last year
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆33Apr 25, 2025Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- ☆147Aug 8, 2024Updated 2 years ago
- [ACL 2026] A collection of AWESOME things about LLM-Centric-Molecular-Discovery☆29Sep 7, 2026Updated last month
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated 2 years ago
- ☆17Jun 3, 2024Updated 2 years ago
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆263Mar 22, 2026Updated 7 months ago
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆20Aug 8, 2023Updated 3 years ago
- Implementation of “Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language”☆41Sep 4, 2026Updated 2 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆37May 23, 2024Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆154Sep 1, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆28Jan 18, 2026Updated 9 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- ☆13Jan 25, 2026Updated 9 months ago
- ☆163Jul 31, 2025Updated last year
- The official repo for the paper "RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Lear…☆23Aug 25, 2026Updated 2 months ago
- ☆20Oct 26, 2024Updated 2 years ago
- 🤓 Official Code of Paper: NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers(KDD 2026)☆18Aug 10, 2026Updated 2 months ago
- ☆32Oct 20, 2026Updated 2 weeks ago
- ☆43Jun 3, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A comprehensive benchmark for evaluating AI models on language-guided molecular structure recognition and manipulation.☆15Apr 27, 2026Updated 6 months ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆415Nov 16, 2023Updated 2 years ago
- ☆29Oct 7, 2024Updated 2 years ago
- Official implementation of SketchMol.☆35Feb 14, 2025Updated last year
- Plausibility checks for generated molecule poses.☆418Oct 3, 2026Updated last month
- Code for 2026 ACL Oral paper 'BioProAgent: Neuro-Symbolic Grounding for Constrained Scientific Planning'.☆15Jun 10, 2026Updated 4 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆51Jul 17, 2023Updated 3 years ago