Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics
☆18Aug 14, 2024Updated last year
Alternatives and similar repositories for molcomplex
Users that are interested in molcomplex are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Quick Reaction Coordinate: normal mode displacement of transition structures☆44Jun 11, 2026Updated last month
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 5 months ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆62Mar 30, 2026Updated 3 months ago
- Calculate Sterimol Parameters from Sructure Input/Output Files☆28Jun 2, 2025Updated last year
- Automated Monte Carlo Conformational Searching with Python☆17Nov 26, 2020Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.