☆100Mar 27, 2024Updated 2 years ago
Alternatives and similar repositories for chemcrow-runs
Users that are interested in chemcrow-runs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Chemcrow☆957Dec 19, 2024Updated last year
- ☆29Sep 13, 2024Updated 2 years ago
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- ☆212Aug 11, 2025Updated last year
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- 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.
- ☆26Sep 26, 2022Updated 4 years ago
- ☆18Aug 5, 2023Updated 3 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated 3 weeks ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆94Aug 5, 2024Updated 2 years ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 4 years ago
- ☆28Nov 18, 2023Updated 2 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆122Jan 27, 2026Updated 8 months ago
- Materials Transformers☆25Feb 4, 2023Updated 3 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.
- ☆39Nov 27, 2024Updated last year
- ☆24Nov 10, 2020Updated 5 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆12Feb 20, 2024Updated 2 years ago
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation☆17Dec 14, 2023Updated 2 years ago
- Probing the limitations of multimodal language models for chemistry and materials research☆25Feb 1, 2026Updated 8 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆121May 15, 2025Updated last year
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated last year
- Python Package for electrochemical analysis☆28Apr 28, 2025Updated last year
- ☆13Jun 11, 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.
- ☆15Aug 13, 2021Updated 5 years ago
- ☆25Aug 18, 2025Updated last year
- ☆34Nov 4, 2024Updated last year
- ChatGPT Chemistry Assistant☆89Aug 7, 2023Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆34Aug 9, 2021Updated 5 years ago
- This repository contains the code for https://decimer.ai☆60Nov 20, 2023Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- ☆262May 17, 2024Updated 2 years ago
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 5 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Molecular filtering for drug discovery.☆78Oct 1, 2026Updated last week
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- ☆24Aug 24, 2023Updated 3 years ago
- Self-driving laboratory for accelerated discovery of thin-film materials - data repository☆23Dec 22, 2025Updated 9 months ago
- ☆14Apr 12, 2026Updated 5 months ago
- Conceptual understanding through efficient inverse-design of quantum optical experiments☆30Sep 1, 2021Updated 5 years ago
- ☆29Jan 16, 2026Updated 8 months ago