Modify training related APIs to batch the whole data by padding (#63)

50fb6cdb · Gao, Xiang · GitHub · b7cab4f1 · 50fb6cdb · 50fb6cdb
Unverified Commit 50fb6cdb authored Aug 13, 2018 by Gao, Xiang Committed by GitHub Aug 13, 2018
20 changed files
--- a/tests/test_data/92
+++ b/tests/test_data/92
--- a/tests/test_data/93
+++ b/tests/test_data/93
--- a/tests/test_data/94
+++ b/tests/test_data/94
--- a/tests/test_data/95
+++ b/tests/test_data/95
--- a/tests/test_data/96
+++ b/tests/test_data/96
--- a/tests/test_energies.py
+++ b/tests/test_energies.py
--- a/tests/test_energyshifter.py
+++ b/tests/test_energyshifter.py
--- a/tests/test_ensemble.py
+++ b/tests/test_ensemble.py
--- a/tests/test_forces.py
+++ b/tests/test_forces.py
--- a/tests/test_ignite.py
+++ b/tests/test_ignite.py
--- a/tools/generate-unit-test-expect.py
+++ b/tools/generate-unit-test-expect.py
--- a/torchani/__init__.py
+++ b/torchani/__init__.py
--- a/torchani/aev.py
+++ b/torchani/aev.py
--- a/torchani/energyshifter.py
+++ b/torchani/energyshifter.py
--- a/torchani/padding.py
+++ b/torchani/padding.py
--- a/torchani/ignite/__init__.py
+++ b/torchani/ignite/__init__.py
--- a/torchani/ignite/container.py
+++ b/torchani/ignite/container.py
--- a/torchani/data.py
+++ b/torchani/data.py
--- a/torchani/ignite/loss_metrics.py
+++ b/torchani/ignite/loss_metrics.py
--- a/torchani/pyanitools.py
+++ b/torchani/pyanitools.py