torchani 0.1

2359a387 · Xiang Gao · Gao, Xiang · 2359a387 · 2359a387 · 2359a387
Commit 2359a387 authored Apr 01, 2018 by Xiang Gao Committed by Gao, Xiang Jul 20, 2018
20 changed files
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l4.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-H.nnf-l4.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l4.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-N.nnf-l4.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-O.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-O.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-O.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-O.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-O.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train7/networks/ANN-O.nnf-l1.wparam