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jdurrant
deepfrag
Commits
a72d50ed
Commit
a72d50ed
authored
May 28, 2021
by
jdurrant
Browse files
Updated version number, etc.
parent
44579ec9
Changes
2
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CHANGES.md
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a72d50ed
Changes
=======
1.
0.1
-----
*
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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data/README.md
View file @
a72d50ed
...
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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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