Commit a72d50ed authored by jdurrant's avatar jdurrant
Browse files

Updated version number, etc.

parent 44579ec9
Changes
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1.0.1
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* Removed open-babel dependency.
* Added option (`cpu_gridify`) to improve use on CPUs when no GPU is
available.
* Updated `data/README.md` with new location of data files.
* Fixed a config import.
1.0
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......@@ -2,7 +2,9 @@ This folder contains data used during training and inference.
Model configuration files in `/configurations` expect the data files to be in this directory. You can either copy them directly here or use symlinks.
You can download the data here: https://pitt.box.com/s/ubohnl10idnarpam40hq6chggtaojqv7
You can download the data here: http://durrantlab.com/apps/deepfrag/files/
<!-- https://pitt.box.com/s/ubohnl10idnarpam40hq6chggtaojqv7 -->
Overview:
- `moad.h5` (7 GB): processed MOAD data loaded by `data_util.FragmentDataset`
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