Token-Mol 1.0：tokenized drug design with large language model
☆67Jun 1, 2026Updated 3 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☆21May 22, 2025Updated last year
- ☆77Nov 7, 2025Updated 10 months ago
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- Official repository for MolCRAFT series☆159Oct 27, 2025Updated 10 months ago
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆33Apr 25, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- [ACL 2026] A collection of AWESOME things about LLM-Centric-Molecular-Discovery☆27Sep 7, 2026Updated 2 weeks ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated 2 years ago
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- ☆147Aug 8, 2024Updated 2 years ago
- ☆18May 16, 2026Updated 4 months ago
- Implementation of “Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language”☆37Sep 4, 2026Updated 2 weeks ago
- ☆17Jun 3, 2024Updated 2 years ago
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆46Jun 23, 2026Updated 3 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- ☆20Oct 26, 2024Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆37May 23, 2024Updated 2 years ago
- ☆13Jan 25, 2026Updated 8 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆256Mar 22, 2026Updated 6 months ago
- The official repo for the paper "RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Lear…☆23Aug 25, 2026Updated 3 weeks ago
- ☆29Oct 7, 2024Updated last year
- PoseX: A Molecular Docking Benchmark☆85Mar 23, 2026Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Official implementation of SketchMol.☆34Feb 14, 2025Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆346Jan 10, 2024Updated 2 years ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆866Updated this week
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆39Jan 23, 2024Updated 2 years ago
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆20Aug 8, 2023Updated 3 years ago
- Papers about Structure-based Drug Design (SBDD)☆153Sep 1, 2025Updated last year
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆64Mar 30, 2026Updated 5 months ago
- ☆25Jul 20, 2026Updated 2 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆61Sep 6, 2024Updated 2 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- ☆89Jan 11, 2025Updated last year
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated last year
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆34May 2, 2026Updated 4 months ago
- Plausibility checks for generated molecule poses.☆405Sep 17, 2026Updated last week
- ☆161Jul 31, 2025Updated last year