PROJECT #13445 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
https://www.youtube.com/watch?v=VnyaAmM1nhEThese 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: 4,082
Core: OPENMM_22
Status: Beta
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Thursday, 13 May 2021 17:04:31
|
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
|---|---|---|---|---|---|---|---|
| 1 | GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile] |
Nvidia | GP104M | 780,484 | 16,983 | 45.96 | 1 hrs 31 mins |
| 2 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 674,529 | 16,241 | 41.53 | 1 hrs 35 mins |
| 3 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 512,000 | 14,749 | 34.71 | 1 hrs 41 mins |
| 4 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 488,502 | 14,703 | 33.22 | 1 hrs 43 mins |
| 5 | Quadro M2200 GM206 [Quadro M2200] |
Nvidia | GM206 | 470,486 | 14,404 | 32.66 | 1 hrs 44 mins |
| 6 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 349,140 | 12,931 | 27.00 | 1 hrs 53 mins |
| 7 | GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634 |
Nvidia | GK104 | 346,418 | 12,607 | 27.48 | 1 hrs 52 mins |
| 8 | Quadro P620 GP107GL [Quadro P620] |
Nvidia | GP107GL | 251,583 | 11,714 | 21.48 | 1 hrs 7 mins |
| 9 | GeForce GTX 670/GTX 760Ti OEM GK104 [GeForce GTX 670/GTX 760Ti OEM] 2634 |
Nvidia | GK104 | 251,006 | 11,805 | 21.26 | 1 hrs 8 mins |
| 10 | GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389 |
Nvidia | GM107 | 245,568 | 11,650 | 21.08 | 1 hrs 8 mins |
| 11 | Quadro K2200 GM107GL [Quadro K2200] |
Nvidia | GM107GL | 228,108 | 11,332 | 20.13 | 1 hrs 12 mins |
| 12 | GeForce GT 1030 GP108 [GeForce GT 1030] 1127 |
Nvidia | GP108 | 218,627 | 10,910 | 20.04 | 1 hrs 12 mins |
| 13 | GeForce GTX 960M GM107 [GeForce GTX 960M] 1439 |
Nvidia | GM107 | 212,390 | 11,183 | 18.99 | 1 hrs 16 mins |
| 14 | GeForce GTX 780 GK110 [GeForce GTX 780] 3977 |
Nvidia | GK110 | 195,456 | 10,716 | 18.24 | 1 hrs 19 mins |
| 15 | GeForce GTX 750 GM107 [GeForce GTX 750] 1111 |
Nvidia | GM107 | 184,465 | 10,664 | 17.30 | 1 hrs 23 mins |
| 16 | Quadro K1200 GM107GL [Quadro K1200] |
Nvidia | GM107GL | 167,642 | 10,251 | 16.35 | 1 hrs 28 mins |
| 17 | GeForce GTX 770 GK104 [GeForce GTX 770] 3213 |
Nvidia | GK104 | 161,280 | 10,080 | 16.00 | 2 hrs 30 mins |
| 18 | GeForce 940MX GM108M [GeForce 940MX] |
Nvidia | GM108M | 125,546 | 9,394 | 13.36 | 2 hrs 48 mins |
| 19 | Quadro K620 GM107GL [Quadro K620] |
Nvidia | GM107GL | 124,974 | 9,244 | 13.52 | 2 hrs 47 mins |
| 20 | GeForce GTX 760 GK104 [GeForce GTX 760] 2258 |
Nvidia | GK104 | 113,789 | 9,087 | 12.52 | 2 hrs 55 mins |
| 21 | GeForce GT 710 GK208B [GeForce GT 710] 366 |
Nvidia | GK208B | 103,819 | 5,594 | 18.56 | 1 hrs 18 mins |
| 22 | GeForce 920M GK208 [GeForce 920M] |
Nvidia | GK208 | 78,901 | 8,036 | 9.82 | 2 hrs 27 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Thursday, 13 May 2021 17:04:31
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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