FigShare python scripts have bugs

isayev / ANI1_dataset

A data set of 20 million calculated off-equilibrium conformations for organic molecules

MIT License

96 stars 18 forks source link

FigShare python scripts have bugs #13

Open jfreeze95 opened 5 months ago

jfreeze95 commented 5 months ago

Hello,

Your FigShare dataset download has bugged copies of pyanitools.py and example_data_sampler.py. They files in the repo are correct so a simple re-upload with the zipped data in FigShare would fix the issue.