Course 1: Introduction
EPA's DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research - ScienceDirect
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs: The Journal of Chemical Physics: Vol 155, No 20
Software – Oleksandr V. Savytskyi, PhD
Evolution of the research workflow in computational chemistry. The... | Download Scientific Diagram
Construction of a robust, large-scale, collaborative database for raw data in computational chemistry: the Collaborative Chemistry Database Tool (CCDBT). | Semantic Scholar
PCCDB Project
Quantum Chemistry in the Age of Machine Learning | The Journal of Physical Chemistry Letters
Sixty-Four Free Chemistry Databases | Depth-First
Computational Chemistry Robots
SinodosChemistry - HyperChem Computational Chemistry software
Broombridge Quantum Chemistry Schema - Azure Quantum | Microsoft Docs
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science: The Journal of Chemical Physics: Vol 149, No 18
PCCDB Project
The MolSSI QCArchive
Evolution of the research workflow in computational chemistry from... | Download Scientific Diagram
QM-sym, a symmetrized quantum chemistry database of 135 kilo molecules | Scientific Data
Molecular structure and properties calculations - Chemistry
CCCBDB introduction navigation
ioChem-Find: Home
Paul J. Schupf Computational Chemistry Laboratory
Construction of a robust, large-scale, collaborative database for raw data in computational chemistry: The Collaborative Chemistry Database Tool (CCDBT) - ScienceDirect
Directory of in silico Drug Design tools
Diversifying databases of metal organic frameworks for high-throughput computational screening | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
Computational Modelling Group: Publication COiCE-26-33-37
