| chemistry |
bde-weak-bonds |
1/1 |
1/1 |
2/2 (100.0%) |
77m/67m |
58.6k/68.7k |
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| chemistry |
conformer-boltzmann-ranking |
1/1 |
0/1 |
1/2 (50.0%) |
14m/51m |
33.7k/28.3k |
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| chemistry |
gas-thermochemistry-equilibrium |
1/1 |
1/1 |
2/2 (100.0%) |
14m/473s |
23.9k/40.7k |
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| chemistry |
ghs-hazard-summary |
1/1 |
0/1 |
1/2 (50.0%) |
319s/50m |
7.3k/31.4k |
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| chemistry |
ir-spectrum-match |
1/1 |
1/1 |
2/2 (100.0%) |
20m/484s |
20.8k/5.6k |
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| chemistry |
mof-dac-screening |
1/1 |
1/1 |
2/2 (100.0%) |
24m/106m |
126.6k/385.0k |
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| chemistry |
nmr-reaction-kinetics |
1/1 |
1/1 |
2/2 (100.0%) |
453s/32m |
15.8k/56.2k |
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| drug-discovery |
admet-lead-triage |
1/1 |
1/1 |
2/2 (100.0%) |
11m/29m |
28.9k/19.6k |
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| drug-discovery |
docking-microstate-enrichment |
0/1 |
1/1 |
1/2 (50.0%) |
24m/23m |
75.5k/174.4k |
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| drug-discovery |
ecfp-analog-diversity |
1/1 |
1/1 |
2/2 (100.0%) |
14m/14m |
14.2k/9.5k |
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| drug-discovery |
ligand-box-definition |
1/1 |
1/1 |
2/2 (100.0%) |
276s/45m |
14.1k/30.2k |
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| drug-discovery |
ligand-md-stability |
1/1 |
1/1 |
2/2 (100.0%) |
21m/54m |
26.6k/36.2k |
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| drug-discovery |
pose-quality-filter |
1/1 |
1/1 |
2/2 (100.0%) |
450s/267s |
10.6k/27.7k |
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| drug-discovery |
symmetry-redocking-rmsd |
1/1 |
1/1 |
2/2 (100.0%) |
382s/23m |
13.6k/24.2k |
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| machine-learning |
committee-uncertainty-flagging |
1/1 |
1/1 |
2/2 (100.0%) |
429s/444s |
7.7k/4.3k |
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| machine-learning |
mlip-error-benchmark |
1/1 |
1/1 |
2/2 (100.0%) |
311s/210s |
10.6k/20.1k |
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| materials-science |
camgsi-elasticity-vrh |
1/1 |
1/1 |
2/2 (100.0%) |
110m/66m |
166.4k/119.2k |
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| materials-science |
co-adsorption-cu111 |
1/1 |
1/1 |
2/2 (100.0%) |
43m/26m |
51.9k/56.3k |
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| materials-science |
convex-hull-stability |
0/1 |
0/1 |
0/2 (0.0%) |
145m/32m |
154.6k/46.8k |
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| materials-science |
crconi-order-disorder |
0/1 |
1/1 |
1/2 (50.0%) |
356m/531m |
349.5k/655.1k |
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| materials-science |
electrochemical-window |
0/1 |
1/1 |
1/2 (50.0%) |
17m/82m |
14.9k/106.7k |
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| materials-science |
li-qha-simulation |
1/1 |
0/1 |
1/2 (50.0%) |
117m/45m |
118.7k/65.9k |
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| materials-science |
lifepo4-intercalation-voltage |
1/1 |
0/1 |
1/2 (50.0%) |
93m/518s |
82.7k/12.9k |
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| materials-science |
mgo-vacancy-energy |
1/1 |
1/1 |
2/2 (100.0%) |
85m/35m |
112.0k/39.5k |
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| materials-science |
ni3al-surface-energy |
1/1 |
1/1 |
2/2 (100.0%) |
196m/58m |
160.9k/51.1k |
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| materials-science |
nist-janaf-query |
1/1 |
1/1 |
2/2 (100.0%) |
504s/258s |
3.1k/4.2k |
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| materials-science |
polymorph-free-energy |
1/1 |
0/1 |
1/2 (50.0%) |
80m/434m |
45.7k/50.0k |
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| materials-science |
si-eos-fit |
1/1 |
1/1 |
2/2 (100.0%) |
30m/26m |
34.0k/28.2k |
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| materials-science |
sic-thermal-conductivity |
1/1 |
0/1 |
1/2 (50.0%) |
34m/65m |
43.6k/86.2k |
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| materials-science |
synthesis-precursor-recommendation |
1/1 |
1/1 |
2/2 (100.0%) |
10m/34m |
4.5k/66.6k |
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| materials-science |
xrd-mixture-phase-fit |
1/1 |
0/1 |
1/2 (50.0%) |
34m/44m |
44.4k/68.2k |
View Details → |