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/train6/networks/ANN-H.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l3.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l4.bparam
+`
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--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-H.nnf-l4.wparam
+,%@,<fʣ9:匈9AZ9ڒ8k([7*9It޸I8=&7U9798z<Z9]m99`~8+/9^4r9VG9A69է8(8h68B99KV98>TsL98sufjPu޸&8y9?9<Kv8L
8nj+?88y8F&cĸc~=pa
+\b7ӷ!ԸҸZ89+Qg=<ݛ3f߸+I)8/9/G8m&59TYH<ML6
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l2.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l3.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l3.bparam
-broken encoding: IBM420_ltr
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l3.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l3.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l4.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l4.bparam
+J
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l4.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-N.nnf-l4.wparam
+M=1< +LH<h@/=-=Zr;=r*94$9k0Q8=L=p	=}</K9M{:<r88ς,a;ҊP{=]>CFʼϙ&<SKMj%:<A(}9[Bϻ==;8¹<=|2>Vݿ!RJ׸c7hhR*:?Y=Q<}9<>:|9=ƸN=-j6"ۼCE>Y<i9Ӹ.
=
+=RмRH=V6@:7V :s8T9˷-h=ńgd<o>eB3Ǥ:sw'>[
\ No newline at end of file
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l1.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l1.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l1.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l1.wparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l2.bparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l2.bparam
--- a/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l2.wparam
+++ b/torchani/resources/ani-1x_dft_x8ens/train6/networks/ANN-O.nnf-l2.wparam