List of DB/tools

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

2DMAT

2DMAT is a framework designed to apply search algorithms to forward problem solvers to find optimal solutions.read more

AAindex

AAindex is a database that gathers biophysical and chemical properties related to the amino acid sequences of read more

AFLOWpi

AFLOWpi is a Python framework for high throughput ab initio calculations. It is designed to manage ab initio cread more

AiiDA

AiiDA is an open-source Python library that helps manage computational tasks and data. It can record the historead more

atomate

Atomate is an open-source library for automated materials calculations. Atomate provides standard workflows foread more

AtomWork-Adv

AtomWork-Adv is a  database of inorganic materials that contains approximately 1,000 journal entries on crystaread more

Cambridge Structure Database (CSD)

The Cambridge Structure Database (CSD) is a database of small molecule organic and organometallic crystal struread more

ChEMBL

ChEMBL is a comprehensive database of biologically active compounds, serving as a crucial resource in drug disread more

COMPARED

COMPARED (COMPutation ARchive of Exact Diagonalization) is a database that stores exhaustive calculation resulread more

CompES-X

CompES-X is a database of electronic structure data. CompES-X is included in the MatNavi materials database prread more