An Interactive Map of Biochemical Similarity in Molecular Datasets. The document: http://chemtreemap.readthedocs.org/en/latest/ . The project website:
☆30Apr 10, 2017Updated 9 years ago
Alternatives and similar repositories for ChemTreeMap
Users that are interested in ChemTreeMap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- IUPAC SMILES+ Specification☆42Dec 12, 2023Updated 2 years ago
- Alchemical mutation scoring map☆42Apr 7, 2022Updated 4 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.
- 3D molecular structure generation for MD simulation☆10May 7, 2026Updated 3 months ago
- ☆26Dec 4, 2019Updated 6 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Sep 11, 2025Updated 10 months ago
- Code for training and inference for multitask graph convolutional networks☆25Sep 3, 2020Updated 5 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- Open Source Ion Mobility Spectrometer☆18Aug 9, 2021Updated 5 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- Mol2vec notebooks for use with Binder service☆29Mar 24, 2018Updated 8 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.
- MGA☆44Jan 15, 2021Updated 5 years ago
- ☆40Feb 26, 2023Updated 3 years ago
- 2018 RDKit UGM☆14Sep 28, 2018Updated 7 years ago
- Lucene Chemical Index based on RDKit functionality.☆15Aug 26, 2016Updated 9 years ago
- Information sharing portal about nCov/SARS/MERS for drug discovery☆38Oct 8, 2024Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- ☆105Feb 15, 2024Updated 2 years ago
- Molecule Validation and Standardization☆188Apr 16, 2020Updated 6 years ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆12Jun 15, 2019Updated 7 years ago
- 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.
- ☆17Feb 8, 2024Updated 2 years ago
- ☆16Oct 19, 2016Updated 9 years ago
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- DeltaVina scoring function☆41Apr 7, 2017Updated 9 years ago
- Data and basic scrubbing of the FDA Adverse Event Reporting System data☆14Aug 1, 2015Updated 11 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- Predicting PROTAC protein degradation activity via machine learning.☆16Sep 17, 2025Updated 10 months ago
- ☆11Oct 1, 2021Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 10 months ago
- ☆43Jul 20, 2026Updated 3 weeks ago
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆15Aug 28, 2023Updated 2 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- My (small) research project in solubility of drug-like molecules☆17Jan 4, 2021Updated 5 years ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆28Aug 9, 2022Updated 4 years ago
- A Cuda/Thrust implementation of fingerprint similarity searching☆113Jan 24, 2024Updated 2 years ago