aqme. Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer generation, 2) QM input file creation, 3) post-processing of QM output files, 4) generation of xTB, DFT and RDKit descriptors. https://aqme.readthedocs.io

Problem

The full read on this project is a sign-in away — what it solves, who it serves, and where it sits in the market.

Audience

The full read on this project is a sign-in away — what it solves, who it serves, and where it sits in the market.

Market

The full read on this project is a sign-in away — what it solves, who it serves, and where it sits in the market.

Pricing

The full read on this project is a sign-in away — what it solves, who it serves, and where it sits in the market.