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/train1/networks/ANN-C.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l2.bparam
-broken encoding: IBM420_ltr
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l4.bparam
+拺
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-C.nnf-l4.wparam
+5e8 k7c
P7g9zWg%=r=98F#=k|MB]<6Ig89twa83A8Ө8lJ\W<#1=~;	8Ym7\n<27~;NW 9$27d78[v8S]=ܵ6<8
*H9Jo8^=V
+IR?A'= 8t=emfm!<qW899޿=9=a!A	9̸"6=98F8{	ᷙ+7V8M917)m=ؚ88j92a=|мE88e8p씹]l8GJP%i]
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l4.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-H.nnf-l4.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train1/networks/ANN-N.nnf-l2.bparam