| chemistry |
bde-weak-bonds |
1/1 |
1/1 |
2/2 (100.0%) |
68m/11m |
16.4k/20.0k |
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| chemistry |
conformer-boltzmann-ranking |
1/1 |
0/1 |
1/2 (50.0%) |
527s/26m |
11.6k/19.7k |
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| chemistry |
gas-thermochemistry-equilibrium |
1/1 |
1/1 |
2/2 (100.0%) |
91s/174s |
5.2k/7.1k |
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| chemistry |
ghs-hazard-summary |
1/1 |
0/1 |
1/2 (50.0%) |
56s/109s |
3.3k/8.1k |
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| chemistry |
ir-spectrum-match |
1/1 |
1/1 |
2/2 (100.0%) |
100s/106s |
5.6k/8.0k |
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| chemistry |
mof-dac-screening |
1/1 |
1/1 |
2/2 (100.0%) |
341s/324s |
13.0k/12.3k |
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| chemistry |
nmr-reaction-kinetics |
1/1 |
1/1 |
2/2 (100.0%) |
379s/236s |
19.7k/13.4k |
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| drug-discovery |
admet-lead-triage |
1/1 |
1/1 |
2/2 (100.0%) |
47s/43s |
3.5k/3.8k |
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| drug-discovery |
docking-microstate-enrichment |
1/1 |
1/1 |
2/2 (100.0%) |
210s/209s |
18.1k/20.5k |
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| drug-discovery |
ecfp-analog-diversity |
1/1 |
1/1 |
2/2 (100.0%) |
36s/26s |
1.8k/1.9k |
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| drug-discovery |
ligand-box-definition |
1/1 |
1/1 |
2/2 (100.0%) |
63s/39s |
4.8k/3.1k |
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| drug-discovery |
ligand-md-stability |
1/1 |
1/1 |
2/2 (100.0%) |
126s/101s |
10.3k/9.0k |
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| drug-discovery |
pose-quality-filter |
1/1 |
1/1 |
2/2 (100.0%) |
75s/71s |
7.4k/4.7k |
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| drug-discovery |
symmetry-redocking-rmsd |
1/1 |
1/1 |
2/2 (100.0%) |
65s/40s |
3.9k/2.7k |
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| machine-learning |
committee-uncertainty-flagging |
1/1 |
1/1 |
2/2 (100.0%) |
83s/76s |
4.8k/3.2k |
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| machine-learning |
mlip-error-benchmark |
1/1 |
1/1 |
2/2 (100.0%) |
101s/91s |
5.6k/5.8k |
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| materials-science |
camgsi-elasticity-vrh |
1/1 |
1/1 |
2/2 (100.0%) |
383s/368s |
11.3k/14.4k |
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| materials-science |
co-adsorption-cu111 |
1/1 |
1/1 |
2/2 (100.0%) |
33m/504s |
18.7k/14.8k |
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| materials-science |
convex-hull-stability |
1/1 |
0/1 |
1/2 (50.0%) |
275s/26m |
9.8k/21.6k |
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| materials-science |
crconi-order-disorder |
1/1 |
1/1 |
2/2 (100.0%) |
57m/187m |
35.0k/36.5k |
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| materials-science |
electrochemical-window |
1/1 |
1/1 |
2/2 (100.0%) |
33m/383s |
18.1k/11.9k |
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| materials-science |
li-qha-simulation |
0/1 |
0/1 |
0/2 (0.0%) |
464s/283s |
19.4k/14.2k |
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| materials-science |
lifepo4-intercalation-voltage |
1/1 |
0/1 |
1/2 (50.0%) |
356s/96s |
6.3k/3.5k |
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| materials-science |
mgo-vacancy-energy |
1/1 |
1/1 |
2/2 (100.0%) |
217s/198s |
8.3k/9.4k |
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| materials-science |
ni3al-surface-energy |
1/1 |
1/1 |
2/2 (100.0%) |
474s/12m |
10.7k/13.7k |
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| materials-science |
nist-janaf-query |
1/1 |
1/1 |
2/2 (100.0%) |
31s/24s |
1.5k/905 |
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| materials-science |
polymorph-free-energy |
1/1 |
1/1 |
2/2 (100.0%) |
108m/90m |
35.9k/34.6k |
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| materials-science |
si-eos-fit |
1/1 |
1/1 |
2/2 (100.0%) |
73s/97s |
3.6k/4.7k |
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| materials-science |
sic-thermal-conductivity |
1/1 |
1/1 |
2/2 (100.0%) |
14m/358s |
13.4k/10.8k |
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| materials-science |
synthesis-precursor-recommendation |
1/1 |
1/1 |
2/2 (100.0%) |
54s/102s |
3.5k/5.4k |
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| materials-science |
xrd-mixture-phase-fit |
1/1 |
1/1 |
2/2 (100.0%) |
364s/317s |
11.8k/13.0k |
View Details → |