Simple User-Friendly Reaction Format
☆18Oct 22, 2024Updated last year
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.☆13Jun 16, 2021Updated 4 years ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated 8 months ago
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning☆19Jul 6, 2023Updated 2 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
- An OOP approach to the classic snake game :)☆12Dec 10, 2024Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics☆18Aug 14, 2024Updated last year
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- Webpage for the ChemRxiv dashboard☆11Mar 10, 2025Updated last year
- Visualize atom and non-atom attributions and SMILES strings☆50Jul 12, 2023Updated 2 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆81Jun 1, 2025Updated 9 months ago
- ☆15Apr 14, 2023Updated 2 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 3 years ago
- ☆22Jul 25, 2024Updated last year
- Plugin that automatically generates index blocks based on tags☆25Jan 21, 2026Updated 2 months ago
- GLAS : An open-source easily expandable Git-based Scheduling Architecture for integral Labautomation☆14Feb 26, 2026Updated 3 weeks ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 5 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆21Feb 20, 2025Updated last year
- ☆14Jul 24, 2023Updated 2 years ago
- Synthesis generative model☆48Apr 24, 2025Updated 11 months ago
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 4 months ago
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆24Dec 20, 2024Updated last year
- AROPS: A Framework of Automated Reaction Optimization with Parallelized Scheduling☆11Feb 28, 2023Updated 3 years ago
- A 22.9 million carbon atom dataset☆15Mar 7, 2023Updated 3 years ago
- ☆24Nov 24, 2024Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆90Feb 9, 2026Updated last month
- ☆27May 22, 2024Updated last year
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆42Sep 5, 2024Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆53Mar 10, 2025Updated last year
- ☆22Jan 25, 2023Updated 3 years ago
- Molecular Library Toolbox☆65Mar 6, 2026Updated 2 weeks ago
- ☆62Jun 30, 2025Updated 8 months ago
- Utilities to manipulate variants and type descriptors☆16Mar 21, 2024Updated 2 years ago
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆32Apr 21, 2024Updated last year
- Python with a twist of R syntax☆10May 6, 2019Updated 6 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago