☆24Dec 4, 2024Updated last year
Alternatives and similar repositories for AutoTemplate
Users that are interested in AutoTemplate are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10May 16, 2024Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆52Jan 27, 2026Updated 9 months ago
- ☆13Oct 6, 2024Updated 2 years ago
- Deterministic classification, naming, and analysis of chemical reactions☆60Aug 10, 2026Updated 2 months ago
- ☆10Jul 30, 2024Updated 2 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.
- ☆37Jul 19, 2024Updated 2 years ago
- Updated fast, rule-free atom mapping for chemical reactions with a full pipeline to train, select, and evaluate your own RXNMapper/ALBERT…☆21Aug 20, 2026Updated 2 months ago
- VenomPred 2.0 API☆11Jul 7, 2026Updated 3 months ago
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆26Jun 23, 2022Updated 4 years ago
- CGRs, molecules and reactions manipulation☆53Oct 31, 2022Updated 4 years ago
- This is repository for "Automated transition state generation for mechanistic exploration in organic synthesis"☆15Sep 7, 2026Updated last month
- Finding organic reaction mechanism with reaction and mechanistic templates☆12Feb 8, 2026Updated 8 months ago
- ☆20Mar 24, 2025Updated last year
- ☆20Feb 5, 2024Updated 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.
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- ARCHIVED legacy compatibility bridge. Active development continues at SergeiNikolenko/Burette.☆21Sep 11, 2026Updated last month
- SMARTS sanitization☆34Mar 2, 2026Updated 8 months ago
- Atom order in one molecule is made to match that in another☆12Nov 2, 2020Updated 6 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated last month
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 5 years ago
- Package for Retrosynthetic Planning☆214Updated this week
- ☆11Oct 2, 2026Updated last month
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆25Aug 4, 2023Updated 3 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.
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated 2 years ago
- Flow Matching for Electron Redistribution☆160May 29, 2026Updated 5 months ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 4 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆127Jul 14, 2025Updated last year
- VAE model with Transformer as backbone.☆10May 18, 2024Updated 2 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆123Jan 27, 2026Updated 9 months ago
- ☆33Sep 9, 2025Updated last year
- ☆13Apr 15, 2024Updated 2 years ago
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆13Oct 16, 2026Updated 2 weeks 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.
- ☆16Jan 2, 2024Updated 2 years ago
- ☆89Mar 12, 2018Updated 8 years ago
- ☆115Jul 11, 2024Updated 2 years ago
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- ☆70Nov 7, 2023Updated 2 years ago