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 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 Thursday, 29 September 2022 00:15:55
|
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 Thursday, 29 September 2022 00:15:55
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|