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/train2/networks/ANN-C.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l1.bparam
+ HO9p}f[4QU8I:ZRPwꈹV|̸QNT8Tk/7b5j49˺Vs+"y;ѷ,$V9,¹"[79X$@0RM8Ό8-	77I@ƹS
9TziC8!
+񐸋<8Q Q9lt9ۂ`T@ܸ8ɷ9: ǜU7u?9陵ɟZ"Ჸ)֑kg?7@/98~[R987Z6hn9Q,p66a 88$g(ҝ8<BU7Ý8fj98Q8iPꎘ93fԸ?5v<9LL9b<7;&ɷvXE4u͹ͼ7Ivc?8/FeZS8W:7?9/7w.wlt߸.]ȸ8MZ;PH8}8?l9>Zg~9
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l2.bparam
+7rs9}~Y)ʸ#=V49=&4&?ֹaǹ}JCϧ:I
r#<F8ލ"8 U+ڹє"EA^H9\87D*n9%@9p7t48սR\z!b'>b9c8
-&Ft$l1=w$9õ{9)w_>뜸8M>
+y0Ҹɰ/͹}s2G
x7894j7:7	NZ9,ѻ,kgzYk_(lx|9=?¹wd9"%9ÛF.xiùG8	Aj!
+9
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l4.bparam
+%MY
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-C.nnf-l4.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l4.bparam
+yr
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-H.nnf-l4.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-N.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-N.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-N.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train2/networks/ANN-N.nnf-l1.bparam