☆21Mar 20, 2026Updated 2 months ago
Alternatives and similar repositories for ChemMLLM
Users that are interested in ChemMLLM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Oct 9, 2024Updated last year
- ☆20Jul 3, 2024Updated last year
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆17Dec 12, 2024Updated last year
- ☆14Apr 16, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years 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.
- ☆14May 15, 2024Updated 2 years ago
- ☆21May 28, 2025Updated 11 months ago
- ☆42Mar 26, 2025Updated last year
- ☆13Jul 5, 2024Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆31Oct 17, 2023Updated 2 years ago
- Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…☆17Apr 20, 2025Updated last year
- Molecular Structure Generation☆35Aug 13, 2024Updated last year
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆34Oct 20, 2025Updated 7 months ago
- ☆12Nov 15, 2020Updated 5 years 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.
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆37Apr 6, 2026Updated last month
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- Official implementation of SketchMol.☆33Feb 14, 2025Updated last year
- ☆42Nov 10, 2020Updated 5 years ago
- ☆14Jun 30, 2021Updated 4 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- ☆17Feb 3, 2025Updated last year
- ☆22Jul 25, 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.
- Unofficial, Google‑free reimplementation of MLE‑STAR: a lightweight, local‑friendly multi‑agent ML engineering pipeline that uses OpenAI‑…☆33Aug 26, 2025Updated 8 months ago
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated last year
- ☆15Jan 22, 2023Updated 3 years ago
- An advanced research assistant that utilizes AI agents to generate novel research directions and analyze scientific literature. This plat…☆16Feb 26, 2025Updated last year
- This is the offical code of the paper "Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model"☆46Dec 12, 2025Updated 5 months ago
- Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks☆14Sep 2, 2024Updated last year
- A Chrome extension that uses AI to detect and filter out negative posts from X.com (formerly Twitter), making your social media experienc…☆19Dec 28, 2024Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 2 years ago
- OpenSpeedy mac版☆19Jul 31, 2025Updated 9 months ago
- 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.
- 用于微调LLM的中文指令数据集☆28Apr 12, 2023Updated 3 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆35Mar 19, 2025Updated last year
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- ☆22Mar 25, 2025Updated last year
- ☆20Nov 12, 2024Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆23Oct 16, 2023Updated 2 years ago