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Adding new contribution by angel-gao_alignn_test #325

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1 change: 1 addition & 0 deletions jarvis_leaderboard/contributions/alignn_test/metadata.json
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6 changes: 6 additions & 0 deletions jarvis_leaderboard/contributions/alignn_test/run.sh
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#!/bin/bash
pip install alignn
python run.py
python run_ocp10k.py
python run_100k_pre.py
python run_halide_perovskites.py
6 changes: 6 additions & 0 deletions jarvis_leaderboard/contributions/alignn_test/run.sh.1
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#!/bin/bash
pip install alignn
python run.py
python run_ocp10k.py
python run_100k_pre.py
python run_halide_perovskites.py
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id,target,prediction
JVASP-1002,1.17,-100
JVASP-104,3.4,2.023
JVASP-113,5.5,3.622
JVASP-1130,14.2,9.479
JVASP-1145,8.5,5.326
JVASP-116,7.83,5.131
JVASP-1174,1.52,0.085
JVASP-1180,0.72,0
JVASP-1183,1.42,0.331
JVASP-1189,0.24,0
JVASP-1192,1.85,0.455
JVASP-1198,2.39,1.057
JVASP-1201,3.4,0.729
JVASP-1216,2.17,0.644
JVASP-1267,3.08,1.605
JVASP-1294,3.58,1.915
JVASP-1300,4.78,2.945
JVASP-1312,2.1,1.515
JVASP-1315,3.88,2.148
JVASP-1327,2.5,1.794
JVASP-1393,2.35,1.482
JVASP-1405,7,3.742
JVASP-1408,1.69,1.322
JVASP-1453,3,2.064
JVASP-17,6.2,4.46
JVASP-1702,3.84,2.086
JVASP-1954,3.25,0.925
JVASP-23,1.61,0.498
JVASP-299,0.9,0.708
JVASP-30,3.5,1.943
JVASP-32,8.8,6.43
JVASP-39,6.19,4.474
JVASP-5,3.3,1.769
JVASP-54,1.29,0.922
JVASP-57,1.11,0.906
JVASP-72,1.38,0.718
JVASP-75,1.23,1.046
JVASP-7630,1.46,1.415
JVASP-7678,2.47,2.117
JVASP-7762,3.6,2.495
JVASP-7844,4.9,3.545
JVASP-7860,0.36,0.185
JVASP-8003,2.5,0.993
JVASP-8082,3.3,1.814
JVASP-8158,2.42,1.62
JVASP-8169,3.28,1.786
JVASP-8566,2.91,0.629
JVASP-8583,2.71,0.792
JVASP-890,0.74,0
JVASP-91,5.5,4.457
JVASP-9147,5.7,4.123
JVASP-95,2.5,1.056
JVASP-96,2.82,1.224
JVASP-97,0.42,0
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97 changes: 97 additions & 0 deletions jarvis_leaderboard/contributions/vasp_pbe_teamX/metadata.json
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{
"model_name": "ALIGNN",
"project_url": "https://www.nature.com/articles/s41524-020-00440-1",
"date_submitted": "01-14-2023",
"author_email": "[email protected]",
"database_version": "12-12-2022",
"team_name": "JARVIS",
"time_taken_seconds": {
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},
"language": "python",
"os": "linux",
"software_used": "jarvis-tools,numpy,scipy,torch,alignn",
"hardware_used": "nisaba-cluster at NIST, V100 Tesla GPU",
"git_url": [
"https://github.com/usnistgov/jarvis",
"https://github.com/usnistgov/alignn"
]
}
2 changes: 2 additions & 0 deletions jarvis_leaderboard/contributions/vasp_pbe_teamX/run.sh
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#!/bin/bash
python prepare.py
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