☆258May 17, 2024Updated last year
Alternatives and similar repositories for gptchem
Users that are interested in gptchem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Language-interfaced fine-tuning for chemistry☆45Nov 30, 2023Updated 2 years ago
- overview of datasets for ML in chemistry☆395Oct 22, 2025Updated 5 months ago
- ChemNLP project☆172Updated this week
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- Explainer for black box models that predict molecule properties☆348May 8, 2025Updated 10 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Synthesis generative model☆48Apr 24, 2025Updated 11 months ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- ☆286Jan 16, 2025Updated last year
- ☆36Sep 18, 2025Updated 6 months ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Feb 9, 2024Updated 2 years ago
- ☆97Dec 19, 2022Updated 3 years ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Oct 4, 2024Updated last year
- [ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models☆294Oct 28, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Extracting medicinal chemistry intuition via preference machine learning☆117Oct 31, 2023Updated 2 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆206Aug 12, 2021Updated 4 years ago
- ☆286Feb 11, 2026Updated last month
- LLM for Drug Editing, ICLR 2024☆157May 28, 2024Updated last year
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆137Aug 5, 2022Updated 3 years ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- ☆14Jul 5, 2022Updated 3 years ago
- Molecular bloom filter tool☆128Updated this week
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆208Feb 15, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆107Dec 1, 2024Updated last year
- Unified machine learning model for predicting polymer properties through human language instructions☆28May 6, 2025Updated 10 months ago
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆152Mar 16, 2023Updated 3 years ago
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Feb 4, 2026Updated last month
- Large language models to generate stable crystals.☆117Jun 18, 2024Updated last year
- Refined and extended version of ChemTS☆121Mar 11, 2026Updated 2 weeks ago
- automated reaction profile generation☆200Mar 10, 2026Updated 2 weeks ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆362Feb 13, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆161Nov 15, 2025Updated 4 months ago
- ☆372May 24, 2025Updated 10 months ago
- Molecular Processing Made Easy.☆532Jun 10, 2024Updated last year
- Multimodal aid for mining of chemical reactions from PDFs☆36Jun 25, 2025Updated 9 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆373Apr 17, 2024Updated last year
- A Fast Chemical Graph Generator☆94Mar 5, 2026Updated 3 weeks ago