Spaces:
Runtime error
Runtime error
gr banner
Browse files- app.py +27 -15
- requirements.txt +1 -2
app.py
CHANGED
@@ -1,15 +1,16 @@
|
|
1 |
import os
|
2 |
|
3 |
import gradio as gr
|
4 |
-
from gradio_banner import Banner
|
5 |
import numpy as np
|
6 |
import plotly.graph_objs as go
|
7 |
from datasets import load_dataset
|
8 |
from pymatgen.analysis.phase_diagram import PDPlotter, PhaseDiagram
|
9 |
from pymatgen.core import Composition, Structure
|
10 |
from pymatgen.core.composition import Composition
|
11 |
-
from pymatgen.entries.computed_entries import (
|
12 |
-
|
|
|
|
|
13 |
|
14 |
HF_TOKEN = os.environ.get("HF_TOKEN")
|
15 |
|
@@ -36,8 +37,13 @@ del dataset
|
|
36 |
|
37 |
|
38 |
def create_phase_diagram(
|
39 |
-
elements,
|
40 |
-
|
|
|
|
|
|
|
|
|
|
|
41 |
):
|
42 |
# Split elements and remove any whitespace
|
43 |
element_list = [el.strip() for el in elements.split("-")]
|
@@ -125,15 +131,21 @@ plot_style_dropdown = gr.Dropdown(choices=["2D", "3D"], label="Plot Style")
|
|
125 |
functional_dropdown = gr.Dropdown(choices=["PBE", "PBESol", "SCAN"], label="Functional")
|
126 |
finite_temp_toggle = gr.Checkbox(label="Enable Finite Temperature Estimation")
|
127 |
|
128 |
-
|
129 |
-
|
130 |
-
|
131 |
-
|
132 |
-
|
133 |
-
|
134 |
-
|
135 |
-
|
136 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
137 |
|
138 |
# Create Gradio interface
|
139 |
iface = gr.Interface(
|
@@ -145,7 +157,7 @@ iface = gr.Interface(
|
|
145 |
plot_style_dropdown,
|
146 |
functional_dropdown,
|
147 |
finite_temp_toggle,
|
148 |
-
|
149 |
],
|
150 |
outputs=gr.Plot(label="Phase Diagram"),
|
151 |
title="LeMaterial - Phase Diagram Viewer",
|
|
|
1 |
import os
|
2 |
|
3 |
import gradio as gr
|
|
|
4 |
import numpy as np
|
5 |
import plotly.graph_objs as go
|
6 |
from datasets import load_dataset
|
7 |
from pymatgen.analysis.phase_diagram import PDPlotter, PhaseDiagram
|
8 |
from pymatgen.core import Composition, Structure
|
9 |
from pymatgen.core.composition import Composition
|
10 |
+
from pymatgen.entries.computed_entries import (
|
11 |
+
ComputedStructureEntry,
|
12 |
+
GibbsComputedStructureEntry,
|
13 |
+
)
|
14 |
|
15 |
HF_TOKEN = os.environ.get("HF_TOKEN")
|
16 |
|
|
|
37 |
|
38 |
|
39 |
def create_phase_diagram(
|
40 |
+
elements,
|
41 |
+
max_e_above_hull,
|
42 |
+
color_scheme,
|
43 |
+
plot_style,
|
44 |
+
functional,
|
45 |
+
finite_temp,
|
46 |
+
**kwargs,
|
47 |
):
|
48 |
# Split elements and remove any whitespace
|
49 |
element_list = [el.strip() for el in elements.split("-")]
|
|
|
131 |
functional_dropdown = gr.Dropdown(choices=["PBE", "PBESol", "SCAN"], label="Functional")
|
132 |
finite_temp_toggle = gr.Checkbox(label="Enable Finite Temperature Estimation")
|
133 |
|
134 |
+
warning_message = "This application uses energy correction schemes directly"
|
135 |
+
warning_message += " from the data providers (Alexandria, MP) and has the 2020 MP"
|
136 |
+
warning_message += " Compatibility scheme applied to OQMD. However, because we did"
|
137 |
+
warning_message += " not directly apply the compatibility schemes to Alexandria, MP"
|
138 |
+
warning_message += " we have noticed discrepencies in the data. While the correction"
|
139 |
+
warning_message += " scheme will be standardized in a soon to be released update, for"
|
140 |
+
warning_message += " now please take caution when analyzing the results of this"
|
141 |
+
warning_message += " application."
|
142 |
+
|
143 |
+
with gr.Blocks() as banner:
|
144 |
+
message = gr.HTML(
|
145 |
+
'<div class="alert"><span class="closebtn" onclick="this.parentElement.style.display="none";">×</span>{}</div>'.format(
|
146 |
+
warning_message
|
147 |
+
)
|
148 |
+
)
|
149 |
|
150 |
# Create Gradio interface
|
151 |
iface = gr.Interface(
|
|
|
157 |
plot_style_dropdown,
|
158 |
functional_dropdown,
|
159 |
finite_temp_toggle,
|
160 |
+
message,
|
161 |
],
|
162 |
outputs=gr.Plot(label="Phase Diagram"),
|
163 |
title="LeMaterial - Phase Diagram Viewer",
|
requirements.txt
CHANGED
@@ -1,5 +1,4 @@
|
|
1 |
plotly
|
2 |
pymatgen
|
3 |
gradio==5.8.0
|
4 |
-
datasets==3.1.0
|
5 |
-
gradio_banner
|
|
|
1 |
plotly
|
2 |
pymatgen
|
3 |
gradio==5.8.0
|
4 |
+
datasets==3.1.0
|
|