data-materials-chemistry-nanoscience

Datasets

• Pubchem 10M https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/pubchem_10m.txt.zip
• Benchmark Energy & Geometry Database (BEGDB) www.begdb.org
• 2019-ncovgroup https://2019-ncovgroup.github.io/data/

Tools and repos

• ChemBert
• Molecular transformer IBM
• Improving molecular property prediction accuracies. https://openreview.net/pdf?id=6K2RM6wVqKu

Papers

• What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks link
• Do Large Language Models Understand Chemistry? A Conversation with ChatGPT link
• ChemCrow: Augmenting large-language models with chemistry tools link
• ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis link
• MolGPT: Molecular Generation Using a Transformer-Decoder Model link