A PyTorch implementation of Uni-Mol3.
☆24Mar 24, 2026Updated 6 months ago
Alternatives and similar repositories for Uni-Mol3
Users that are interested in Uni-Mol3 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICML 2025] Hierarchical Graph Tokenization for Molecule-Language Alignment☆17Aug 18, 2025Updated last year
- Official Implementation of "Discrete Diffusion Schrödinger Bridge Matching for Graph Transformation" (ICLR 2025)☆18Apr 15, 2025Updated last year
- [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison☆31Jul 30, 2026Updated 2 months ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated last year
- [Nature npj Computational Materials] This is the official code for the paper “Virtual Characterization via Knowledge-Enhanced Representat…☆16Aug 17, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Learnable Global Pooling Layers Based on Regularized Optimal Transport (ROT)☆16Mar 17, 2024Updated 2 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- A curated biochemical database that integrates and refines data from KEGG and ATLAS databases to support precise analyses of biochemical …☆16May 13, 2026Updated 4 months ago
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- Flow Matching for Electron Redistribution☆157May 29, 2026Updated 4 months ago
- ☆32Sep 9, 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 last month
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆18Jul 6, 2025Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆23Jan 28, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Official implementation for BioKinema☆31Sep 10, 2026Updated last month
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆46Aug 28, 2025Updated last year
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 2 months ago
- ☆55Aug 7, 2026Updated 2 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆69Jul 29, 2025Updated last year
- unimol_tools: a easy-use & auto-ml molecule property prediction tool☆35Jul 16, 2026Updated 2 months ago
- Code for Online Graph Dictionary Learning☆18Mar 1, 2022Updated 4 years ago
- [CIKM2023] The official implementation of "MPerformer: An SE(3) Transformer-based Molecular Perceptron"☆27Nov 12, 2024Updated last year
- An ASE interface to Amesp☆13Oct 8, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Token-Mol 1.0:tokenized drug design with large language model☆67Jun 1, 2026Updated 4 months ago
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- ☆17Mar 9, 2026Updated 7 months ago
- ☆65Mar 23, 2026Updated 6 months ago
- LOL(英雄联盟)一键载入自定义天赋(符文)☆10Sep 18, 2022Updated 4 years ago
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆13Dec 27, 2023Updated 2 years ago
- Code and data in support of the research paper about robotized exploration of organic reaction spaces☆17Sep 26, 2025Updated last year
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆41Feb 27, 2026Updated 7 months ago
- ☆15Mar 3, 2025Updated 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.
- ☆38Jul 19, 2024Updated 2 years ago
- [ICLR 2023] "HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing" by Tianlong Chen*, Chengyue Gong*, Daniel …☆32Mar 19, 2023Updated 3 years ago
- ☆33Dec 17, 2025Updated 9 months ago
- Predicting molecular structure from multimodal spectroscopic data☆31Sep 28, 2026Updated last week
- ☆20Oct 26, 2024Updated last year
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Aug 28, 2026Updated last month
- Open-source Deep Learning Framework for Allosteric Pocket Prediction☆17Jul 31, 2026Updated 2 months ago