diff --git a/CHANGES.md b/CHANGES.md index 9b0686f..fcbac0f 100644 --- a/CHANGES.md +++ b/CHANGES.md @@ -1,6 +1,15 @@ 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 --- diff --git a/data/README.md b/data/README.md index 9ff1d80..77adb7c 100644 --- a/data/README.md +++ b/data/README.md @@ -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/ + + Overview: - `moad.h5` (7 GB): processed MOAD data loaded by `data_util.FragmentDataset`