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 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 Monday, 16 May 2022 12:52:37
|
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 Monday, 16 May 2022 12:52:37
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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