PROJECT #13436 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 Wednesday, 28 July 2021 15:34:05

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 7,191,676 625,466 11.50 2 hrs 5 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,796,915 581,508 9.97 2 hrs 24 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,862,226 554,861 8.76 3 hrs 44 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,840,627 553,315 8.75 3 hrs 45 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,051,902 518,643 7.81 3 hrs 4 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,685,881 493,536 7.47 3 hrs 13 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,485,248 493,368 7.06 3 hrs 24 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,312,479 481,175 6.88 3 hrs 29 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,159,860 477,786 6.61 4 hrs 38 mins
10 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 3,084,764 476,682 6.47 4 hrs 43 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,950,930 464,405 6.35 4 hrs 47 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,845,964 461,149 6.17 4 hrs 53 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,792,653 459,178 6.08 4 hrs 57 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,610,169 447,281 5.84 4 hrs 7 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,513,363 441,958 5.69 4 hrs 13 mins
16 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,510,630 427,156 5.88 4 hrs 5 mins
17 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,336,823 425,004 5.50 4 hrs 22 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,316,951 425,647 5.44 4 hrs 25 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,921,528 387,178 4.96 5 hrs 50 mins
20 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,903,570 405,980 4.69 5 hrs 7 mins
21 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,864,637 401,316 4.65 5 hrs 10 mins
22 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,772,646 393,839 4.50 5 hrs 20 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,647,930 379,624 4.34 6 hrs 32 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,617,117 379,952 4.26 6 hrs 38 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,600,690 375,691 4.26 6 hrs 38 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,463,225 370,837 3.95 6 hrs 5 mins
27 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,425,239 347,389 4.10 6 hrs 51 mins
28 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,295,200 357,222 3.63 7 hrs 37 mins
29 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,261,726 351,855 3.59 7 hrs 42 mins
30 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,245,956 348,930 3.57 7 hrs 43 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,174,029 344,713 3.41 7 hrs 3 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,109,784 336,864 3.29 7 hrs 17 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,059,000 334,622 3.16 8 hrs 35 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 1,001,361 321,906 3.11 8 hrs 43 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 741,545 295,595 2.51 10 hrs 34 mins
36 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 718,377 291,687 2.46 10 hrs 45 mins
37 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 700,718 280,693 2.50 10 hrs 37 mins
38 P104-100
GP104 [P104-100]
Nvidia GP104 574,781 272,924 2.11 11 hrs 24 mins
39 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 569,454 268,348 2.12 11 hrs 19 mins
40 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 550,152 268,662 2.05 12 hrs 43 mins
41 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 529,833 265,560 2.00 12 hrs 2 mins
42 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 472,960 251,479 1.88 13 hrs 46 mins
43 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 446,729 245,300 1.82 13 hrs 11 mins
44 P106-100
GP106 [P106-100]
Nvidia GP106 444,629 249,828 1.78 13 hrs 29 mins
45 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 415,536 244,307 1.70 14 hrs 7 mins
46 P106-090
GP106 [P106-090]
Nvidia GP106 342,981 229,017 1.50 16 hrs 2 mins
47 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 289,927 217,290 1.33 18 hrs 59 mins
48 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 253,424 198,984 1.27 19 hrs 51 mins
49 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 235,248 202,125 1.16 21 hrs 37 mins
50 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 141,886 171,187 0.83 29 hrs 57 mins
51 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 123,106 162,431 0.76 32 hrs 40 mins
52 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 73,623 138,214 0.53 45 hrs 3 mins
53 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 33,719 125,550 0.27 89 hrs 22 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 28 July 2021 15:34:05

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