2DMAT is a framework designed to apply search algorithms to forward problem solvers to find optimal solutions.…read more
List of DB/tools
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 c…read more
AiiDA
AiiDA is an open-source Python library that helps manage computational tasks and data. It can record the histo…read more
atomate
Atomate is an open-source library for automated materials calculations. Atomate provides standard workflows fo…read more
AtomWork-Adv
AtomWork-Adv is a database of inorganic materials that contains approximately 1,000 journal entries on crysta…read more
Cambridge Structure Database (CSD)
The Cambridge Structure Database (CSD) is a database of small molecule organic and organometallic crystal stru…read more
ChatGPT
ChatGPT is a large language model developed by OpenAI, excelling in natural language processing. It can answer…read more
ChEMBL
ChEMBL is a comprehensive database of biologically active compounds, serving as a crucial resource in drug dis…read more
COMPARED
COMPARED (COMPutation ARchive of Exact Diagonalization) is a database that stores exhaustive calculation resul…read more