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fix layout + more
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 * make layout centered
 * add proper description
 * add schematic
 * add logo
 * add link to youtube
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ltalirz committed Jan 3, 2019
1 parent 73e62d4 commit b800547
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1 change: 1 addition & 0 deletions sycofinder/app_ga.py
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Expand Up @@ -38,6 +38,7 @@
],
id='div_compute'),
],
id="container",
# tag for iframe resizer
**{'data-iframe-height': ''},
)
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63 changes: 43 additions & 20 deletions sycofinder/app_home.py
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@@ -1,31 +1,54 @@
import dash_html_components as html
from . import app

about = """
SyCoFinder was designed to aid experiments in order to efficiently explore the
chemical space involved in the synthesis of metal-organic frameworks.
The first component of the app generates a diverse set of synthesis conditions
in the chemical space defined by the user (potentially already including chemical
intuition by assigning variable importance).
Users then perform experiments, recording the fitness of the samples obtained
(fitness scores are user specific, higher is better). These records are fed
into the second component of the app, which optimizes the synthesis conditions
using a genetic algorithm.
Finally, the complete set of experiments and fitness records can be used to determine
the importance of experimental variables using a machine learning algorithm.
"""

about_html = [html.P(i) for i in about.split("\n\n")]

layout = [
html.Div(
[
html.Div(html.H1(app.title), id="maintitle"),
html.H2("About"),
html.P("""
We report a methodology using machine learning to capture chemical intuition
from a set of (partially) failed attempts to synthesize a metal organic
framework. We define chemical intuition as the collection of unwritten
guidelines used by synthetic chemists to find the right synthesis conditions.
As (partially) failed experiments usually remain unreported, we have
reconstructed a typical track of failed experiments in a successful search for
finding the optimal synthesis conditions that yields HKUST-1 with the highest
surface area reported to date. We illustrate the importance of quantifying this
chemical intuition for the synthesis of novel materials.
"""),
html.Ul([
html.Li(html.A('Compute diverse set', href='maxdiv/')),
html.Li(
html.A(
'Genetic Algorithm: compute next generation',
href='ga/')),
html.Li(
html.A('Determine importance of variables', href='ml/')),
]),
html.Img(src="assets/images/logo.png", className="sycologo"),
html.Img(src="assets/images/schema.png", className="sycoschema"),
html.Div(
about_html + [
html.P(
html.A(
html.B("Watch the tutorial on Youtube"),
href='https://youtu.be/xyEUfw2F4Ck',
target='_blank')),
],
className="info-container"),
html.H2("Steps"),
html.Div(
html.Ol([
html.Li(html.A('Compute diverse set', href='maxdiv/')),
html.Li(
html.A(
'Genetic Algorithm: compute next generation',
href='ga/')),
html.Li(
html.A(
'Determine importance of variables', href='ml/')),
]),
className="sycolinks"),
],
id="container",
# tag for iframe resizer
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1 change: 1 addition & 0 deletions sycofinder/app_maxdiv.py
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Expand Up @@ -134,6 +134,7 @@ def get_controls(id, desc, range, default_weight=0.0):
#graph, hover_info,
#click_info
],
id="container",
# tag for iframe resizer
**{'data-iframe-height': ''},
)
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1 change: 1 addition & 0 deletions sycofinder/app_ml.py
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Expand Up @@ -42,6 +42,7 @@
],
id='ml_div_compute')
],
id="container",
# tag for iframe resizer
**{'data-iframe-height': ''},
)
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Binary file added sycofinder/assets/images/schema.png
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19 changes: 19 additions & 0 deletions sycofinder/assets/style.css
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Expand Up @@ -12,3 +12,22 @@
._dash-undo-redo {
display: none;
}

div.sycolinks a, div.sycolinks li {
font-weight: bold;
}

img.sycoschema {
margin: auto;
width: 300px;
padding: 15px;
vertical-align: middle;
}

img.sycologo {
margin: auto;
width: 150px;
padding: 30px;
vertical-align: middle;
}

1 change: 1 addition & 0 deletions sycofinder/assets/visualizer.min.css

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1 change: 1 addition & 0 deletions sycofinder/assets/visualizer_input.min.css

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