update doc

build/lib/molearn/__init__.py

@@ -0,0 +1,19 @@
+# Copyright (c) 2021 Venkata K. Ramaswamy, Samuel C. Musson, Chris G. Willcocks, Matteo T. Degiacomi
+#
+# Molearn is free software ;
+# you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation ;
+# either version 2 of the License, or (at your option) any later version.
+# molearn is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY ;
+# without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
+# See the GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License along with molearn ;
+# if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA.
+
+
+__author__ = "V. K. Ramaswamy, S. C. Musson, C. G. Willcocks, M. T. Degiacomi"
+__version__ = '1.1'
+__date__ = '$Date: 2022-10-26 $'
+
+
+from .data import PDBData
+from .trainers import OpenMM_Physics_Trainer