Directory of in silico Drug Design tools
Computational Chemistry Robots
Broombridge Quantum Chemistry Schema - Azure Quantum | Microsoft Docs
PCCDB Project
Diversifying databases of metal organic frameworks for high-throughput computational screening | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform | Journal of Chemical Information and Modeling
Deep integration of machine learning into computational chemistry and materials science | Semantic Scholar
EPA's DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research - ScienceDirect
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
Construction of a robust, large-scale, collaborative database for raw data in computational chemistry: The Collaborative Chemistry Database Tool (CCDBT) - ScienceDirect
Evolution of the research workflow in computational chemistry from... | Download Scientific Diagram
ChemAlive Database $10,000 for 134,000 Molecules by Peter Damian Jarowski — Kickstarter
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
SinodosChemistry - HyperChem Computational Chemistry software
PCCDB Project
Course 1: Introduction
PCCDB Project
QM-sym, a symmetrized quantum chemistry database of 135 kilo molecules | Scientific Data
Sixty-Four Free Chemistry Databases | Depth-First
Sixty-Four Free Chemistry Databases | Depth-First
Evolution of the research workflow in computational chemistry. The... | Download Scientific Diagram
The MolSSI QCArchive
Computational Modelling Group: Publication COiCE-26-33-37
Construction of a robust, large-scale, collaborative database for raw data in computational chemistry: the Collaborative Chemistry Database Tool (CCDBT). | Semantic Scholar
