Natural language computational chemistry command line interface.
pip install nlcc
You must have either an OpenAI Codex key or HuggingFace API key (minimum plan level is Community Pro). Make sure they are set via
export OPENAI_API_KEY=<your key here>
or export HUGGINGFACE_API_KEY=<your key here>
then nlcc
Please cite our preprint
@article{hocky2022natural,
title={Natural language processing models that automate programming will transform chemistry research and teaching},
author={Hocky, Glen M and White, Andrew D},
journal={Digital Discovery},
year={2022},
publisher={Royal Society of Chemistry}
}
ctrl-w
copy to clipboard (Note, you may need to install xsel on linux)ctrl-q
helpctrl-o
reset contextctrl-z
execute python codectrl-t
adjust temperaturectrl-u
statusctrl-c
quitctrl-x
write to file (same output as copy to clipboard)ctrl-l
load from filectrl-n
update number of code responsesctrl-down
Enter multiline. escape-enter
to enter prompt or ctrl-down
to leave[insert]
Add this to your multiline prompt to have completion inserted in a specific location