PROJECT #13435 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 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 18:48:28
|
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 | 7,086,697 | 620,843 | 11.41 | 2 hrs 6 mins |
| 2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 6,037,862 | 591,569 | 10.21 | 2 hrs 21 mins |
| 3 | TITAN RTX TU102 [TITAN RTX] 16310 |
Nvidia | TU102 | 5,180,611 | 567,440 | 9.13 | 3 hrs 38 mins |
| 4 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,908,403 | 555,090 | 8.84 | 3 hrs 43 mins |
| 5 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 4,025,076 | 518,908 | 7.76 | 3 hrs 6 mins |
| 6 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,574,601 | 495,996 | 7.21 | 3 hrs 20 mins |
| 7 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,545,855 | 488,632 | 7.26 | 3 hrs 18 mins |
| 8 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 3,373,151 | 487,193 | 6.92 | 3 hrs 28 mins |
| 9 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 3,211,044 | 479,275 | 6.70 | 4 hrs 35 mins |
| 10 | GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q] |
Nvidia | TU104M | 3,069,329 | 476,263 | 6.44 | 4 hrs 43 mins |
| 11 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,983,923 | 469,351 | 6.36 | 4 hrs 47 mins |
| 12 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,827,199 | 462,225 | 6.12 | 4 hrs 55 mins |
| 13 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,728,552 | 451,048 | 6.05 | 4 hrs 58 mins |
| 14 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,692,777 | 457,081 | 5.89 | 4 hrs 4 mins |
| 15 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,465,812 | 439,629 | 5.61 | 4 hrs 17 mins |
| 16 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 2,281,193 | 428,860 | 5.32 | 5 hrs 31 mins |
| 17 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 2,242,120 | 399,759 | 5.61 | 4 hrs 17 mins |
| 18 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 1,977,828 | 404,740 | 4.89 | 5 hrs 55 mins |
| 19 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,761,404 | 388,069 | 4.54 | 5 hrs 17 mins |
| 20 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,730,148 | 389,256 | 4.44 | 5 hrs 24 mins |
| 21 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,706,250 | 385,206 | 4.43 | 5 hrs 25 mins |
| 22 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,488,625 | 374,678 | 3.97 | 6 hrs 2 mins |
| 23 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,479,998 | 372,035 | 3.98 | 6 hrs 2 mins |
| 24 | GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144 |
Nvidia | GM200 | 1,468,203 | 370,555 | 3.96 | 6 hrs 3 mins |
| 25 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,411,039 | 364,581 | 3.87 | 6 hrs 12 mins |
| 26 | Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT] |
AMD | Navi 10 | 1,367,891 | 348,086 | 3.93 | 6 hrs 6 mins |
| 27 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,323,959 | 357,974 | 3.70 | 6 hrs 29 mins |
| 28 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,294,865 | 357,324 | 3.62 | 7 hrs 37 mins |
| 29 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,172,732 | 340,688 | 3.44 | 7 hrs 58 mins |
| 30 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 1,121,720 | 340,130 | 3.30 | 7 hrs 17 mins |
| 31 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,062,730 | 328,463 | 3.24 | 7 hrs 25 mins |
| 32 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 1,027,254 | 329,021 | 3.12 | 8 hrs 41 mins |
| 33 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 904,299 | 311,986 | 2.90 | 8 hrs 17 mins |
| 34 | GeForce GTX 1070 GP104 [GeForce GTX 1070] |
Nvidia | GP104 | 840,285 | 309,142 | 2.72 | 9 hrs 50 mins |
| 35 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 817,545 | 305,703 | 2.67 | 9 hrs 58 mins |
| 36 | GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile] |
Nvidia | TU116M | 806,752 | 304,963 | 2.65 | 9 hrs 4 mins |
| 37 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 652,887 | 283,954 | 2.30 | 10 hrs 26 mins |
| 38 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 456,927 | 239,944 | 1.90 | 13 hrs 36 mins |
| 39 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 446,342 | 250,673 | 1.78 | 13 hrs 29 mins |
| 40 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 438,318 | 239,626 | 1.83 | 13 hrs 7 mins |
| 41 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 432,565 | 237,570 | 1.82 | 13 hrs 11 mins |
| 42 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 382,815 | 237,827 | 1.61 | 15 hrs 55 mins |
| 43 | GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER] |
Nvidia | TU116 | 361,048 | 182,910 | 1.97 | 12 hrs 10 mins |
| 44 | GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862 |
Nvidia | GP107 | 344,487 | 229,736 | 1.50 | 16 hrs 0 mins |
| 45 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 283,934 | 215,243 | 1.32 | 18 hrs 12 mins |
| 46 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 256,674 | 190,388 | 1.35 | 18 hrs 48 mins |
| 47 | GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138 |
Nvidia | GP107 | 241,512 | 195,896 | 1.23 | 19 hrs 28 mins |
| 48 | Radeon R9 200/300 Series Tonga [Radeon R9 200/300 Series] |
AMD | Tonga | 178,948 | 186,071 | 0.96 | 25 hrs 57 mins |
| 49 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 145,018 | 172,650 | 0.84 | 29 hrs 34 mins |
| 50 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 134,667 | 125,550 | 1.07 | 22 hrs 23 mins |
| 51 | Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902] |
AMD | raven | 82,892 | 143,131 | 0.58 | 41 hrs 26 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Saturday, 17 April 2021 18:48:28
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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