Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
☆17Apr 13, 2026Updated 6 months ago
Alternatives and similar repositories for MolAct
Users that are interested in MolAct are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy.☆38Aug 8, 2026Updated 2 months ago
- Official repo for PlanViz: Evaluating Planning-Oriented Image Generation and Editing for Computer-Use Tasks☆17Oct 15, 2026Updated 2 weeks ago
- Chemia: Chemical Representation and Analysis using Neural and Ensemble models☆50Jun 9, 2026Updated 4 months ago
- QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry (JCIM 2025)☆12Oct 5, 2025Updated last year
- ☆26Oct 24, 2026Updated last week
- 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.
- 🤓 Official Code of Paper: NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers(KDD 2026)☆18Aug 10, 2026Updated 2 months ago
- MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation☆15Oct 4, 2025Updated last year
- LLM Reasoning Benchmark & Chain-of-Thoughts Dataset for Chemistry☆57Oct 9, 2025Updated last year
- ☆14Sep 11, 2025Updated last year
- Reinforcement learning based cyclic peptide binder design☆20Jul 22, 2025Updated last year
- This is an official repository of Vib2Mol☆13Sep 10, 2026Updated last month
- ☆13Mar 9, 2022Updated 4 years ago
- ☆12Feb 5, 2024Updated 2 years ago
- [ICLR 2025] <MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses>☆59Nov 12, 2025Updated 11 months ago
- 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.
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- AI for Chemical Spectra☆21Updated this week
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆25Jun 30, 2026Updated 4 months ago
- ☆67Mar 23, 2026Updated 7 months ago
- Identifying amino acids important to AlphaFold!☆11Oct 20, 2026Updated last week
- PaDEL ws descriptors engine☆14Jul 3, 2018Updated 8 years ago
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆30Mar 19, 2026Updated 7 months ago
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 3 months ago
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- 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.
- record and share my reading everyday☆12Apr 1, 2016Updated 10 years ago
- Mol-Opt: a toolbox for molecular design☆25Apr 15, 2024Updated 2 years ago
- 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
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated last year
- Official release of OneGenome-Rice models.☆27Jun 16, 2026Updated 4 months ago
- Code for "Strategy-first synthesis planning for complex natural products"☆28Sep 8, 2026Updated last month
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- fuses molecular language and graph representation for property prediction☆25Jun 1, 2024Updated 2 years ago
- ☆20Feb 27, 2026Updated 8 months ago
- 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.
- Protein reasoning foundation models for drug discovery.☆74May 13, 2026Updated 5 months ago
- Deep cross-model between MS/MS spectra and structures for unknown metabolite identification☆15Dec 11, 2025Updated 10 months ago
- ☆10Dec 8, 2022Updated 3 years ago
- Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIP…☆25Dec 11, 2025Updated 10 months ago
- ASAP-SML: An Antibody Sequence Analysis Pipeline Using Statistical Testing and Machine Learning☆11Jul 6, 2023Updated 3 years ago
- Open Accelerated Discovery Toolkit☆16Mar 24, 2026Updated 7 months ago
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆20Oct 23, 2025Updated last year