PROJECT #13437 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

https://www.youtube.com/watch?v=VnyaAmM1nhE

These projects are to assist rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.

This series of projects simulates the SARS-CoV-2 main viral protease.

These projects collectively cover the entire set of X-ray structures collected by the COVID Moonshot, and more RUNs will be added as new structures are collected.

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): Prof. John Chodera

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://choderalab.org

PROJECT WORK UNIT SUMMARY

Atoms: 89,709

Core: OPENMM_22

Status: Beta

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Saturday, 17 April 2021 19:02:15

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 7,140,621 622,657 11.47 2 hrs 6 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,412,193 558,297 9.69 2 hrs 29 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 5,350,352 565,415 9.46 3 hrs 32 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,764,808 549,913 8.66 3 hrs 46 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,855,110 504,017 7.65 3 hrs 8 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,830,147 509,007 7.52 3 hrs 11 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,515,028 493,139 7.13 3 hrs 22 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,319,436 488,076 6.80 4 hrs 32 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,176,839 479,347 6.63 4 hrs 37 mins
10 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,050,192 478,604 6.37 4 hrs 46 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,936,646 460,897 6.37 4 hrs 46 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,807,245 456,434 6.15 4 hrs 54 mins
13 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,806,021 389,151 7.21 3 hrs 20 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,777,332 458,310 6.06 4 hrs 58 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,690,679 451,052 5.97 4 hrs 1 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,517,285 442,501 5.69 4 hrs 13 mins
17 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 2,426,019 437,221 5.55 4 hrs 20 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,300,726 430,268 5.35 4 hrs 29 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,179,979 410,465 5.31 5 hrs 31 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,915,590 405,926 4.72 5 hrs 5 mins
21 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,901,470 401,826 4.73 5 hrs 4 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,641,793 377,472 4.35 6 hrs 31 mins
23 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,540,675 376,370 4.09 6 hrs 52 mins
24 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,496,103 374,647 3.99 6 hrs 1 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,483,266 367,371 4.04 6 hrs 57 mins
26 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,481,129 374,384 3.96 6 hrs 4 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,357,954 360,514 3.77 6 hrs 22 mins
28 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,352,454 355,139 3.81 6 hrs 18 mins
29 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,341,206 341,831 3.92 6 hrs 7 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,295,320 355,952 3.64 7 hrs 36 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,154,259 337,114 3.42 7 hrs 1 mins
32 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,100,414 335,548 3.28 7 hrs 19 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,084,911 336,650 3.22 7 hrs 27 mins
34 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,033,007 327,554 3.15 8 hrs 37 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 853,779 308,235 2.77 9 hrs 40 mins
36 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 738,140 296,022 2.49 10 hrs 37 mins
37 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 726,441 294,179 2.47 10 hrs 43 mins
38 P104-100
GP104 [P104-100]
Nvidia GP104 581,325 273,926 2.12 11 hrs 19 mins
39 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 532,101 257,544 2.07 12 hrs 37 mins
40 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 527,963 265,224 1.99 12 hrs 3 mins
41 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 510,135 261,585 1.95 12 hrs 18 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 446,270 244,203 1.83 13 hrs 8 mins
43 P106-100
GP106 [P106-100]
Nvidia GP106 423,593 246,142 1.72 14 hrs 57 mins
44 P106-090
GP106 [P106-090]
Nvidia GP106 342,250 229,232 1.49 16 hrs 4 mins
45 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 323,218 224,966 1.44 17 hrs 42 mins
46 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 279,955 198,797 1.41 17 hrs 3 mins
47 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 251,968 198,410 1.27 19 hrs 54 mins
48 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 221,326 198,247 1.12 21 hrs 30 mins
49 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 206,882 141,580 1.46 16 hrs 25 mins
50 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 195,325 191,881 1.02 24 hrs 35 mins
51 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 147,002 173,187 0.85 28 hrs 17 mins
52 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 145,268 145,542 1.00 24 hrs 3 mins
53 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 115,999 159,700 0.73 33 hrs 2 mins
54 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 53,612 125,550 0.43 56 hrs 12 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 17 April 2021 19:02:15

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