Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
☆17Apr 13, 2026Updated 3 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.☆34Nov 13, 2025Updated 8 months ago
- Official repo for PlanViz: Evaluating Planning-Oriented Image Generation and Editing for Computer-Use Tasks☆17Feb 17, 2026Updated 5 months ago
- Chemia: Chemical Representation and Analysis using Neural and Ensemble models☆49Jun 9, 2026Updated last month
- ☆24Aug 18, 2025Updated 11 months ago
- LLM Reasoning Benchmark & Chain-of-Thoughts Dataset for Chemistry☆55Oct 9, 2025Updated 9 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- AI for Chemical Spectra☆18Updated this week
- ☆12Feb 5, 2024Updated 2 years ago
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated 2 years ago
- Official release of OneGenome-Rice models.☆23Jun 16, 2026Updated last month
- ☆63Mar 23, 2026Updated 3 months ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆24Jun 30, 2026Updated 3 weeks ago
- PaDEL ws descriptors engine☆14Jul 3, 2018Updated 8 years ago
- Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIP…☆19Dec 11, 2025Updated 7 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.
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆31Mar 19, 2026Updated 4 months ago
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆23Nov 22, 2025Updated 7 months ago
- Open Accelerated Discovery Toolkit☆15Mar 24, 2026Updated 3 months ago
- VSCode extension for coredumpy☆14Apr 1, 2025Updated last year
- ☆19Feb 27, 2026Updated 4 months ago
- ASAP-SML: An Antibody Sequence Analysis Pipeline Using Statistical Testing and Machine Learning☆11Jul 6, 2023Updated 3 years ago
- A unified tree search framework for molecular generation.☆20Jul 14, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆19Oct 23, 2025Updated 8 months ago
- Deep cross-model between MS/MS spectra and structures for unknown metabolite identification☆15Dec 11, 2025Updated 7 months ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆53Jul 13, 2026Updated last week
- ☆17Jun 25, 2025Updated last year
- Graph Transformer Network in PyG☆45Jul 13, 2026Updated last week
- ☆20May 25, 2026Updated last month
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 years ago
- ✨✨ Latest Advances on AI for Spectra Data Analysis (SpectraAI)☆25Nov 24, 2025Updated 7 months ago
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 3 years 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 repository for the ACL 2025 Findings paper "Worse than Random? An Embarrassingly Simple Probing Evaluation of Large Multimodal M…☆26May 12, 2026Updated 2 months ago
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated 2 weeks ago
- Repo for ICCV 2021 paper: Beyond Question-Based Biases: Assessing Multimodal Shortcut Learning in Visual Question Answering☆29Jul 1, 2024Updated 2 years ago
- ☆30Jun 5, 2026Updated last month
- A tool that helps finding decoy molecules for a given target, provided a set of active molecules.☆19Feb 24, 2022Updated 4 years ago
- PaiNN in jax☆11Jan 14, 2025Updated last year
- ☆20Jan 31, 2023Updated 3 years ago