Simple User-Friendly Reaction Format
☆19Aug 5, 2026Updated last week
Alternatives and similar repositories for surf
Users that are interested in surf are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆15Jun 16, 2021Updated 5 years ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated last year
- Batched optimisation algorithms for neural network potential driven molecular dynamics.☆17Nov 27, 2025Updated 8 months ago
- RetroChimera: a frontier retrosynthesis model built on ensembling☆29Updated this week
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆25Dec 20, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 8 months ago
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning☆19Jul 6, 2023Updated 3 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Another Molecular String Representation☆10Updated this week
- Webpage for the ChemRxiv dashboard☆12Mar 10, 2025Updated last year
- ☆16Sep 16, 2025Updated 10 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 3 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆82Jun 1, 2025Updated last year
- 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.
- Visualize atom and non-atom attributions and SMILES strings☆50Jun 20, 2026Updated last month
- ☆15Apr 14, 2023Updated 3 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 6 years ago
- ☆14Jul 24, 2023Updated 3 years ago
- GLAS : An open-source easily expandable Git-based Scheduling Architecture for integral Labautomation☆15Feb 26, 2026Updated 5 months ago
- Synthesis generative model☆48Apr 24, 2025Updated last year
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- AROPS: A Framework of Automated Reaction Optimization with Parallelized Scheduling☆11Feb 28, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆24Nov 24, 2024Updated last year
- A 22.9 million carbon atom dataset☆16Mar 7, 2023Updated 3 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆99Apr 13, 2026Updated 4 months ago
- Molecular Library Toolbox☆66Apr 27, 2026Updated 3 months ago
- ☆23Jan 25, 2023Updated 3 years ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆54Mar 10, 2025Updated last year
- ☆27May 22, 2024Updated 2 years ago
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆43Sep 5, 2024Updated last year
- ☆64Jun 30, 2025Updated last year
- 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.
- Python with a twist of R syntax☆10May 6, 2019Updated 7 years ago
- Converts clipboard content to smiles and much more☆66Jun 6, 2024Updated 2 years ago
- ☆24Jul 25, 2024Updated 2 years ago
- Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics☆18Aug 14, 2024Updated last year
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- Deterministic classification, naming, and analysis of chemical reactions☆56Updated this week
- ☆297Jan 16, 2025Updated last year