A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, protein research, and material science.
☆45Aug 2, 2023Updated 2 years ago
Alternatives and similar repositories for LLM4Mol
Users that are interested in LLM4Mol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- List of Molecular and Material design using Generative AI and Deep Learning☆941May 25, 2026Updated 2 weeks ago
- Geometry Deep Learning for Drug Discovery and Life Science☆72Apr 26, 2024Updated 2 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 2 years ago
- ☆14Apr 16, 2024Updated 2 years ago
- AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.☆24Aug 5, 2025Updated 10 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.
- Large language models as universal biomedical simulators☆20Jul 17, 2024Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆20Nov 28, 2023Updated 2 years ago
- ☆12Jan 25, 2026Updated 4 months ago
- Designer scaffolded DNA DX-based wireframe lattices☆14Jul 28, 2018Updated 7 years ago
- Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.☆22Sep 8, 2025Updated 9 months ago
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Mar 28, 2024Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- ☆15Dec 4, 2023Updated 2 years ago
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆21May 22, 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.
- Solution of KDD cup 2021☆11Jun 16, 2021Updated 4 years ago
- ☆11Jan 3, 2024Updated 2 years ago
- ☆13Nov 1, 2023Updated 2 years ago
- OMNI-P2x: A universal neural network potential for excited states☆14Mar 19, 2026Updated 2 months ago
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- Converts clipboard content to smiles and much more☆66Jun 6, 2024Updated 2 years ago
- protein conformational spaces meet machine learning☆52Mar 26, 2026Updated 2 months ago
- Official repository for MolCRAFT series☆155Oct 27, 2025Updated 7 months ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Protein representation and design under a single training scheme☆24May 17, 2026Updated 3 weeks ago
- ☆29May 5, 2025Updated last year
- Collection of papers for Molecular Representation using AI☆37Feb 21, 2026Updated 3 months ago
- Python scripting library for generating designs readable by scadnano.☆17Apr 3, 2026Updated 2 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- ☆54Apr 17, 2026Updated last month
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆294Updated this week
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆44Oct 26, 2025Updated 7 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.
- ☆20Feb 26, 2021Updated 5 years ago
- ☆14Mar 2, 2023Updated 3 years ago
- ☆10Apr 20, 2022Updated 4 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ☆46Jun 20, 2025Updated 11 months ago
- ☆16Jan 5, 2021Updated 5 years ago
- ☆13Oct 29, 2022Updated 3 years ago