Spaces:
Running
Running
File size: 2,272 Bytes
3b0d98a df95987 2100e49 5f78296 3b0d98a 5f78296 3b0d98a 1485b15 5f78296 df95987 1485b15 5f78296 2100e49 5f78296 3b0d98a 2100e49 3b0d98a 2100e49 1485b15 5f78296 3b0d98a df95987 1485b15 3b0d98a 1485b15 140be5e 1485b15 3b0d98a 140be5e 1485b15 5f78296 df95987 5f78296 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 |
from pathlib import Path
import pandas as pd
import streamlit as st
# from mlip_arena.models.utils import MLIPEnum, REGISTRY
from mlip_arena.models import REGISTRY
DATA_DIR = Path("mlip_arena/tasks/diatomics")
methods = ["MACE-MP", "Equiformer", "CHGNet", "MACE-OFF", "eSCN", "ALIGNN"]
dfs = [pd.read_json(DATA_DIR / method.lower() / "homonuclear-diatomics.json") for method in methods]
df = pd.concat(dfs, ignore_index=True)
table = pd.DataFrame(columns=[
"Model",
"Supported elements",
# "No. of reversed forces",
# "Energy-consistent forces",
"Prediction",
"NVT",
"NPT",
"Code",
"Paper",
"Last updated",
])
for model in REGISTRY:
rows = df[df["method"] == model]
metadata = REGISTRY.get(model, {})
new_row = {
"Model": model,
"Supported elements": len(rows["name"].unique()),
# "No. of reversed forces": None, # Replace with actual logic if available
# "Energy-consistent forces": None, # Replace with actual logic if available
"Prediction": metadata.get("prediction", None),
"NVT": "✅" if metadata.get("nvt", False) else "❌",
"NPT": "✅" if metadata.get("npt", False) else "❌",
"Code": metadata.get("github", None) if metadata else None,
"Paper": metadata.get("doi", None) if metadata else None,
}
table = pd.concat([table, pd.DataFrame([new_row])], ignore_index=True)
table.set_index("Model", inplace=True)
s = table.style.background_gradient(
cmap="PuRd",
subset=["Supported elements"],
vmin=0, vmax=120
)
st.markdown(
"""
<h1 style='text-align: center;'>⚔️ MLIP Arena Leaderboard ⚔️</h1>
""", unsafe_allow_html=True)
# st.image("")
# st.markdown("# MLIP Arena Leaderboard")
st.dataframe(
s,
use_container_width=True,
column_config={
"Code": st.column_config.LinkColumn(
# "GitHub",
# help="The top trending Streamlit apps",
# validate="^https://[a-z]+\.streamlit\.app$",
max_chars=100,
display_text="GitHub",
),
"Paper": st.column_config.LinkColumn(
# validate="^https://[a-z]+\.streamlit\.app$",
max_chars=100,
display_text="arXiv",
),
},
)
|