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uibcdf / OpenPharmacophore

An open library to work with pharmacophores.
https://www.uibcdf.org/OpenPharmacophore
MIT License
36 stars 10 forks source link

Trajectories for testing #56

Open Daniel-Ibarrola opened 2 years ago

Daniel-Ibarrola commented 2 years ago

We need test trajectories for testing and implementing the dynamic pharmacophores. Currently there is only one sample trajectory, Estrogen Receptor alpha which is too big. We need to get a set of smaller trajectories so we can quickly perform tests on them.

dprada commented 2 years ago

I'm going to help with this. 👍🏻

Daniel-Ibarrola commented 2 years ago

Thank you!