☆19Jul 18, 2024Updated last year
Alternatives and similar repositories for theia
Users that are interested in theia are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated last year
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆21Aug 30, 2025Updated 6 months ago
- Biosynthesis Navigator for Natural Products☆54Jul 4, 2022Updated 3 years ago
- Code for LOTUS web☆14Nov 18, 2022Updated 3 years ago
- ☆29Jan 15, 2026Updated 2 months ago
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 8 months ago
- ☆17Updated this week
- Python package to atom map, correct and suggest enzymatic reactions☆43Apr 11, 2024Updated last year
- The official pytorch implementation of "LightRoseTTA: High-efficient and Accurate Protein Structure Prediction Using an Ultra-Lightweight…☆16Apr 13, 2025Updated 11 months ago
- Reaction Analysis through Imaging of Chemical Units☆16Dec 5, 2025Updated 3 months ago
- RetroPath2.0 to pathways☆18Jan 28, 2026Updated last month
- Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)☆18Aug 5, 2024Updated last year
- ☆13May 19, 2025Updated 10 months ago
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Oct 1, 2020Updated 5 years ago
- ☆14Dec 2, 2024Updated last year
- RXN for biochemical reactions☆74Oct 18, 2022Updated 3 years ago
- ☆12Dec 12, 2024Updated last year
- ☆28Mar 16, 2023Updated 3 years ago
- ☆51Aug 8, 2022Updated 3 years ago
- xyz2mol for transition metal complexes.☆20Feb 6, 2026Updated last month
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 3 years ago
- https://taxonomicallyinformedannotation.github.io/tima☆12Updated this week
- ☆78Sep 12, 2024Updated last year
- Contains CHARMING.py and its associated README.md☆12Oct 20, 2022Updated 3 years ago
- ☆10Dec 15, 2023Updated 2 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16May 5, 2022Updated 3 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 2 years ago
- SMARTS sanitization☆32Mar 2, 2026Updated 3 weeks ago
- ☆13Aug 5, 2025Updated 7 months ago
- Official code repository for the paper READRetro: Natural Product Biosynthesis Planning with Retrieval-Augmented Dual-View Retrosynthesis☆22Jun 8, 2024Updated last year
- ☆19Nov 21, 2025Updated 4 months ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆12May 25, 2020Updated 5 years ago
- Reaction-Conditioned Virtual Screening of Enzymes☆42Jun 11, 2025Updated 9 months ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆121May 1, 2023Updated 2 years ago
- Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"☆13Aug 7, 2023Updated 2 years ago
- ☆31Nov 15, 2022Updated 3 years ago