Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction
☆73Jun 18, 2023Updated 3 years ago
Alternatives and similar repositories for Large-Language-Models-in-Chemistry
Users that are interested in Large-Language-Models-in-Chemistry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆15Sep 4, 2025Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆52Oct 12, 2022Updated 3 years ago
- Generative Pre-Training from Molecules☆22Apr 22, 2023Updated 3 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆35Sep 4, 2024Updated 2 years ago
- ☆14Nov 1, 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.
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆118May 6, 2026Updated 5 months ago
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation☆22Jul 23, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Domain Agnostic Fourier Neural Operators (DAFNO)☆22Sep 3, 2024Updated 2 years ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 5 months ago
- ☆14Mar 7, 2024Updated 2 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆17Mar 20, 2023Updated 3 years ago
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆544Jun 17, 2023Updated 3 years ago
- Awesome papers related to generative molecular modeling and design.☆347Aug 13, 2026Updated last month
- 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.
- Repository for MolFormer☆415Sep 17, 2025Updated last year
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆20Oct 23, 2025Updated 11 months ago
- ☆34Feb 27, 2026Updated 7 months ago
- ☆102Aug 23, 2024Updated 2 years ago
- [ICML 2025] GitHub repository for LDMol, a latent text-to-molecule diffusion model.☆26Jun 24, 2025Updated last year
- ☆15Jun 7, 2022Updated 4 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- ☆14Oct 9, 2024Updated 2 years ago
- Automatically exported from code.google.com/p/elba-lammps☆21Feb 9, 2016Updated 10 years 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.
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆864May 17, 2025Updated last year
- ☆29Mar 16, 2023Updated 3 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆46Aug 2, 2023Updated 3 years ago
- ☆39Jul 26, 2024Updated 2 years ago
- ☆429Apr 18, 2022Updated 4 years ago
- LLM for Drug Editing, ICLR 2024☆163May 28, 2024Updated 2 years ago
- ☆16Sep 30, 2024Updated 2 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- 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.
- ☆24Aug 9, 2026Updated 2 months ago
- Code for the paper "Exploiting Pretrained Biochemical Language Models for Targeted Drug Design", to appear in Bioinformatics, Proceedings…☆18Feb 26, 2024Updated 2 years ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆78Oct 23, 2023Updated 2 years ago
- Foundation Model for Materials - FM4M☆322Sep 17, 2026Updated 3 weeks ago
- Synthetic Bayesian Classification☆49Jan 18, 2021Updated 5 years ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆33May 17, 2024Updated 2 years ago
- ☆10Nov 17, 2020Updated 5 years ago