cyrusyc commited on
Commit
3a1f221
1 Parent(s): 2537cab

update icon; fix unit

Browse files
serve/ranks/homonuclear-diatomics.py CHANGED
@@ -116,6 +116,19 @@ s = (
116
  cmap="Blues",
117
  subset=["Rank", "Rank aggr."],
118
  )
 
 
 
 
 
 
 
 
 
 
 
 
 
119
  )
120
 
121
 
@@ -124,7 +137,7 @@ def render():
124
  s,
125
  use_container_width=True,
126
  )
127
- with st.expander(":material/info: Explanation"):
128
  st.caption(
129
  """
130
  - **Conservation deviation**: The average deviation of force from negative energy gradient along the diatomic curves.
 
116
  cmap="Blues",
117
  subset=["Rank", "Rank aggr."],
118
  )
119
+ .format(
120
+ "{:.4f}",
121
+ subset=[
122
+ "Conservation deviation [eV/Å]",
123
+ "Spearman's coeff. (Energy - repulsion)",
124
+ "Spearman's coeff. (Force - descending)",
125
+ "Tortuosity",
126
+ "Energy jump [eV]",
127
+ "Force flips",
128
+ "Spearman's coeff. (Energy - attraction)",
129
+ "Spearman's coeff. (Force - ascending)",
130
+ ]
131
+ )
132
  )
133
 
134
 
 
137
  s,
138
  use_container_width=True,
139
  )
140
+ with st.expander("Explanation", icon=":material/info:"):
141
  st.caption(
142
  """
143
  - **Conservation deviation**: The average deviation of force from negative energy gradient along the diatomic curves.
serve/ranks/thermal-conductivity.py CHANGED
@@ -11,33 +11,33 @@ table = pd.read_csv(DATA_DIR / "wte.csv")
11
  table.rename(
12
  columns={
13
  "method": "Model",
14
- "srme": "SRME [1/Å]",
15
  },
16
  inplace=True,
17
  )
18
 
19
  table.set_index("Model", inplace=True)
20
 
21
- table.sort_values(["SRME [1/Å]"], ascending=True, inplace=True)
22
 
23
- table["Rank"] = table["SRME [1/Å]"].rank(method='min').astype(int)
24
 
25
  table = table.reindex(
26
  columns=[
27
  "Rank",
28
- "SRME [1/Å]",
29
  ]
30
  )
31
 
32
  s = (
33
  table.style.background_gradient(
34
- cmap="Reds", subset=["SRME [1/Å]"]
35
  )
36
  .background_gradient(
37
  cmap="Blues",
38
  subset=["Rank"],
39
  )
40
- .format("{:.3f}", subset=["SRME [1/Å]"])
41
  )
42
 
43
 
@@ -48,7 +48,7 @@ def render():
48
  use_container_width=True
49
  )
50
 
51
- with st.expander(":material/info: Explanation"):
52
  st.caption(
53
  """
54
  - **SRME**: symmetric relative mean error of single-phonon conductivity:
 
11
  table.rename(
12
  columns={
13
  "method": "Model",
14
+ "srme": "SRME",
15
  },
16
  inplace=True,
17
  )
18
 
19
  table.set_index("Model", inplace=True)
20
 
21
+ table.sort_values(["SRME"], ascending=True, inplace=True)
22
 
23
+ table["Rank"] = table["SRME"].rank(method='min').astype(int)
24
 
25
  table = table.reindex(
26
  columns=[
27
  "Rank",
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+ "SRME",
29
  ]
30
  )
31
 
32
  s = (
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  table.style.background_gradient(
34
+ cmap="Reds", subset=["SRME"]
35
  )
36
  .background_gradient(
37
  cmap="Blues",
38
  subset=["Rank"],
39
  )
40
+ .format("{:.3f}", subset=["SRME"])
41
  )
42
 
43
 
 
48
  use_container_width=True
49
  )
50
 
51
+ with st.expander("Explanation", icon=":material/info:"):
52
  st.caption(
53
  """
54
  - **SRME**: symmetric relative mean error of single-phonon conductivity:
serve/tasks/thermal-conductivity.py CHANGED
@@ -26,21 +26,23 @@ table = pd.read_csv(DATA_DIR / "wte.csv")
26
  table.rename(
27
  columns={
28
  "method": "Model",
29
- "srme": "SRME [1/Å]",
30
  },
31
  inplace=True,
32
  )
33
 
34
  table.set_index("Model", inplace=True)
35
 
36
- table.sort_values(["SRME [1/Å]"], ascending=True, inplace=True)
37
 
38
- s = table.style.background_gradient(
39
- cmap="Reds", subset=["SRME [1/Å]"]
 
 
 
40
  )
41
 
42
  st.dataframe(
43
  s,
44
  use_container_width=True,
45
- column_config={"SRME [1/Å]": {"format": "{:.3f}"}}
46
  )
 
26
  table.rename(
27
  columns={
28
  "method": "Model",
29
+ "srme": "SRME",
30
  },
31
  inplace=True,
32
  )
33
 
34
  table.set_index("Model", inplace=True)
35
 
36
+ table.sort_values(["SRME"], ascending=True, inplace=True)
37
 
38
+ s = (
39
+ table.style.background_gradient(
40
+ cmap="Reds", subset=["SRME"]
41
+ )
42
+ .format("{:.3f}", subset=["SRME"])
43
  )
44
 
45
  st.dataframe(
46
  s,
47
  use_container_width=True,
 
48
  )