PROJECT #13462 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

https://www.youtube.com/watch?v=VnyaAmM1nhE These projects are rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.

Top-scoring molecules will be made and tested in a laboratory by the COVID Moonshot as it works to develop an open science patent-free inexpensive therapy for COVID-19 that shuts down the essential SARS-CoV-2 main viral protease.

The COVID Moonshot has already made and tested hundreds of compounds, and is pursuing several good lead series.

You can see their progress in real time here:
https://covid.postera.ai/covid/submissions/compounds To learn more about what the Moonshot is and how it came about, you can read our blog post or watch this video. In addition to helping us prioritize compounds, you can help us purchase more compounds for synthesis at cost from Enamine by sponsoring our GoFundMe page for patent-free open science COVID-19 drug discovery! This is a radical new approach to drug discovery that aims to rapidly produce inexpensive new therapies. SARS-CoV-2 main viral protease SARS-CoV-2 main viral potease (Mpro) with ligand bound, from the RCSB.

PROJECT INFO

Manager(s): Dr. John Chodera

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://choderalab.org

PROJECT WORK UNIT SUMMARY

Atoms: 89,709

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 02 October 2022 12:16:43

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 5,437,896 284,749 19.10 1 hrs 15 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,315,826 283,475 18.75 1 hrs 17 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,199,525 274,960 18.91 1 hrs 16 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,110,952 281,528 18.15 1 hrs 19 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,255,833 263,215 16.17 1 hrs 29 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,079,496 257,319 15.85 2 hrs 31 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,761,319 252,329 14.91 2 hrs 37 mins
8 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,704,119 252,042 14.70 2 hrs 38 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,488,715 242,970 14.36 2 hrs 40 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,193,310 240,960 13.25 2 hrs 49 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,709,642 251,539 10.77 2 hrs 14 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A]
Nvidia TU106 2,606,187 224,955 11.59 2 hrs 4 mins
13 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,451,111 205,731 11.91 2 hrs 1 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,426,646 221,010 10.98 2 hrs 11 mins
15 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 2,352,155 216,136 10.88 2 hrs 12 mins
16 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,988,749 206,058 9.65 2 hrs 29 mins
17 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,967,388 198,471 9.91 2 hrs 25 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,945,399 198,930 9.78 2 hrs 27 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070]
Nvidia TU106 1,875,744 196,437 9.55 3 hrs 31 mins
20 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,801,212 195,666 9.21 3 hrs 36 mins
21 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,641,100 190,088 8.63 3 hrs 47 mins
22 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 1,613,859 190,681 8.46 3 hrs 50 mins
23 GeForce RTX 3080 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,605,243 191,490 8.38 3 hrs 52 mins
24 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,563,703 190,219 8.22 3 hrs 55 mins
25 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,423,162 184,484 7.71 3 hrs 7 mins
26 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,309,687 177,362 7.38 3 hrs 15 mins
27 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 1,291,721 178,224 7.25 3 hrs 19 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,123,995 178,665 6.29 4 hrs 49 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,099,879 165,980 6.63 4 hrs 37 mins
30 Tesla P100 16GB
GP100GL [Tesla P100 16GB] 9340
Nvidia GP100GL 1,010,979 163,576 6.18 4 hrs 53 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,006,258 161,157 6.24 4 hrs 51 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 994,808 163,160 6.10 4 hrs 56 mins
33 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 948,111 159,090 5.96 4 hrs 2 mins
34 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 934,907 159,264 5.87 4 hrs 5 mins
35 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 911,164 157,216 5.80 4 hrs 8 mins
36 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 655,927 141,994 4.62 5 hrs 12 mins
37 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 569,319 136,211 4.18 6 hrs 45 mins
38 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 375,243 117,690 3.19 8 hrs 32 mins
39 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 287,972 104,278 2.76 9 hrs 41 mins
40 Radeon RX 6400 / 6500 XT
Navi 24 [Radeon RX 6400 / 6500 XT]
AMD Navi 24 232,622 101,066 2.30 10 hrs 26 mins
41 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 203,335 96,075 2.12 11 hrs 20 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 02 October 2022 12:16:43

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make