CabanaMD is a high-performance molecular dynamics (MD) simulation framework optimized for Exascale Computing e…read more
List of DB/tools
Cambridge Structure Database (CSD)
The Cambridge Structure Database (CSD) is a database of small molecule organic and organometallic crystal stru…read more
Catalysis Hub
Catalysis-Hub.org is an open web platform supporting computational catalysis research. At its core is the Surf…read more
cclib
cclib is an open-source Python library for parsing and interpreting output files from quantum chemistry codes.…read more
CDVAE
CDVAE is a diffusion-based variational autoencoder for crystalline materials. It learns from existing crystal …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
ChIP-Atlas
ChIP-Atlas is an open-access database that integrates and visualizes publicly available ChIP-seq (Chromatin Im…read more
Claude
Claude is a next-generation AI assistant developed by the AI research company Anthropic, designed with a stron…read more
COMPARED
COMPARED (COMPutation ARchive of Exact Diagonalization) is a database that stores exhaustive calculation resul…read more