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nomad-lab
ai-toolkit
tutorial-descriptor-role
Commits
c1fe007f
Commit
c1fe007f
authored
3 years ago
by
Luigi Sbailo
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Install jupyter jsmol in setup
parent
4a682a83
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2 changed files
descriptor_role.ipynb
+16
-16
16 additions, 16 deletions
descriptor_role.ipynb
setup.py
+1
-1
1 addition, 1 deletion
setup.py
with
17 additions
and
17 deletions
descriptor_role.ipynb
+
16
−
16
View file @
c1fe007f
...
@@ -69,8 +69,8 @@
...
@@ -69,8 +69,8 @@
"execution_count": 1,
"execution_count": 1,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:22.28189
1Z",
"end_time": "2021-09-14T14:
30:04.85151
1Z",
"start_time": "2021-09-14T14:
21:22.270006
Z"
"start_time": "2021-09-14T14:
30:04.832503
Z"
},
},
"init_cell": true
"init_cell": true
},
},
...
@@ -195,8 +195,8 @@
...
@@ -195,8 +195,8 @@
"execution_count": 2,
"execution_count": 2,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:24.602454
Z",
"end_time": "2021-09-14T14:
30:07.180032
Z",
"start_time": "2021-09-14T14:
21:22.282984
Z"
"start_time": "2021-09-14T14:
30:04.852666
Z"
},
},
"init_cell": true,
"init_cell": true,
"tags": [
"tags": [
...
@@ -207,7 +207,7 @@
...
@@ -207,7 +207,7 @@
{
{
"data": {
"data": {
"application/vnd.jupyter.widget-view+json": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "
cc8c6620956944eca7ce698df1f252ea
",
"model_id": "
4ee6df9ee3f741d69dedf298cfccedf9
",
"version_major": 2,
"version_major": 2,
"version_minor": 0
"version_minor": 0
},
},
...
@@ -260,8 +260,8 @@
...
@@ -260,8 +260,8 @@
"execution_count": 3,
"execution_count": 3,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:24.71638
7Z",
"end_time": "2021-09-14T14:
30:07.28344
7Z",
"start_time": "2021-09-14T14:
21:24.605171
Z"
"start_time": "2021-09-14T14:
30:07.182435
Z"
},
},
"init_cell": true,
"init_cell": true,
"tags": [
"tags": [
...
@@ -323,8 +323,8 @@
...
@@ -323,8 +323,8 @@
"execution_count": 4,
"execution_count": 4,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:24.722377
Z",
"end_time": "2021-09-14T14:
30:07.287864
Z",
"start_time": "2021-09-14T14:
21:24.71775
2Z"
"start_time": "2021-09-14T14:
30:07.28471
2Z"
},
},
"init_cell": true
"init_cell": true
},
},
...
@@ -353,8 +353,8 @@
...
@@ -353,8 +353,8 @@
"execution_count": 5,
"execution_count": 5,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:24.733732
Z",
"end_time": "2021-09-14T14:
30:07.298609
Z",
"start_time": "2021-09-14T14:
21:24.723967
Z"
"start_time": "2021-09-14T14:
30:07.289053
Z"
},
},
"init_cell": true,
"init_cell": true,
"tags": [
"tags": [
...
@@ -442,8 +442,8 @@
...
@@ -442,8 +442,8 @@
"execution_count": 6,
"execution_count": 6,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:24.753028
Z",
"end_time": "2021-09-14T14:
30:07.315349
Z",
"start_time": "2021-09-14T14:
21:24.734831
Z"
"start_time": "2021-09-14T14:
30:07.299720
Z"
},
},
"init_cell": true,
"init_cell": true,
"tags": [
"tags": [
...
@@ -582,8 +582,8 @@
...
@@ -582,8 +582,8 @@
"execution_count": 7,
"execution_count": 7,
"metadata": {
"metadata": {
"ExecuteTime": {
"ExecuteTime": {
"end_time": "2021-09-14T14:
21:25.035
20
3
Z",
"end_time": "2021-09-14T14:
30:07.5816
20Z",
"start_time": "2021-09-14T14:
21:24.75488
0Z"
"start_time": "2021-09-14T14:
30:07.31639
0Z"
},
},
"init_cell": true,
"init_cell": true,
"scrolled": false,
"scrolled": false,
...
@@ -595,7 +595,7 @@
...
@@ -595,7 +595,7 @@
{
{
"data": {
"data": {
"application/vnd.jupyter.widget-view+json": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "
3f5fc578cd0e4531abcda67716cb8eea
",
"model_id": "
e8d2c04ad65049e8bcb440fe6e638ab3
",
"version_major": 2,
"version_major": 2,
"version_minor": 0
"version_minor": 0
},
},
...
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setup.py
+
1
−
1
View file @
c1fe007f
...
@@ -13,5 +13,5 @@ setup(
...
@@ -13,5 +13,5 @@ setup(
description
=
metainfo
[
'
title
'
],
description
=
metainfo
[
'
title
'
],
long_description
=
metainfo
[
'
description
'
],
long_description
=
metainfo
[
'
description
'
],
packages
=
find_packages
(),
packages
=
find_packages
(),
install_requires
=
[
'
numpy
'
,
'
pandas
'
,
'
matplotlib
'
,
'
scikit-learn
'
,
'
ipywidgets
'
,
'
nglview
'
,
'
ase
'
,
'
jupyter_helpers
'
],
install_requires
=
[
'
numpy
'
,
'
pandas
'
,
'
matplotlib
'
,
'
scikit-learn
'
,
'
ipywidgets
'
,
'
nglview
'
,
'
ase
'
,
'
jupyter_helpers
'
,
'
jupyter_jsmol==2021.3.0
'
],
)
)
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