PROJECT #13447 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, 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 GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile] |
Nvidia | GP104M | 844,805 | 17,561 | 48.11 | 0 hrs 30 mins |
| 2 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 787,781 | 17,267 | 45.62 | 1 hrs 32 mins |
| 3 | Quadro M2200 GM206 [Quadro M2200] |
Nvidia | GM206 | 464,887 | 14,528 | 32.00 | 1 hrs 45 mins |
| 4 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 428,086 | 13,824 | 30.97 | 1 hrs 47 mins |
| 5 | GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile] |
Nvidia | GP107M | 383,943 | 13,501 | 28.44 | 1 hrs 51 mins |
| 6 | GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile] |
Nvidia | GP106M | 373,479 | 11,665 | 32.02 | 1 hrs 45 mins |
| 7 | GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile] |
Nvidia | GP107M | 350,526 | 12,882 | 27.21 | 1 hrs 53 mins |
| 8 | GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634 |
Nvidia | GK104 | 342,331 | 12,597 | 27.18 | 1 hrs 53 mins |
| 9 | GeForce GTX 950 GM206 [GeForce GTX 950] 1572 |
Nvidia | GM206 | 326,505 | 12,673 | 25.76 | 1 hrs 56 mins |
| 10 | GeForce GTX 770 GK104 [GeForce GTX 770] 3213 |
Nvidia | GK104 | 242,075 | 11,081 | 21.85 | 1 hrs 6 mins |
| 11 | GeForce GTX 850M GM107 [GeForce GTX 850M] 1155 |
Nvidia | GM107 | 225,353 | 11,387 | 19.79 | 1 hrs 13 mins |
| 12 | Quadro K2200 GM107GL [Quadro K2200] |
Nvidia | GM107GL | 223,823 | 11,177 | 20.03 | 1 hrs 12 mins |
| 13 | GeForce GT 1030 GP108 [GeForce GT 1030] 1127 |
Nvidia | GP108 | 190,320 | 10,502 | 18.12 | 1 hrs 19 mins |
| 14 | GTX 650 Ti Boost GK106 [GTX 650 Ti Boost] |
Nvidia | GK106 | 181,544 | 10,538 | 17.23 | 1 hrs 24 mins |
| 15 | GeForce GTX 960M GM107 [GeForce GTX 960M] 1439 |
Nvidia | GM107 | 180,124 | 10,336 | 17.43 | 1 hrs 23 mins |
| 16 | GeForce GTX 750 GM107 [GeForce GTX 750] 1111 |
Nvidia | GM107 | 179,043 | 9,497 | 18.85 | 1 hrs 16 mins |
| 17 | GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389 |
Nvidia | GM107 | 177,883 | 9,919 | 17.93 | 1 hrs 20 mins |
| 18 | GeForce GTX 660 GK106 [GeForce GTX 660] |
Nvidia | GK106 | 170,321 | 10,056 | 16.94 | 1 hrs 25 mins |
| 19 | Quadro K1200 GM107GL [Quadro K1200] |
Nvidia | GM107GL | 158,112 | 9,940 | 15.91 | 2 hrs 31 mins |
| 20 | Quadro K620 GM107GL [Quadro K620] |
Nvidia | GM107GL | 113,167 | 8,904 | 12.71 | 2 hrs 53 mins |
| 21 | Quadro P620 GP107GL [Quadro P620] |
Nvidia | GP107GL | 110,176 | 8,947 | 12.31 | 2 hrs 57 mins |
| 22 | GeForce GTX 760 GK104 [GeForce GTX 760] 2258 |
Nvidia | GK104 | 103,207 | 8,387 | 12.31 | 2 hrs 57 mins |
| 23 | GeForce GTX 690 GK104 [GeForce GTX 690] 3130 |
Nvidia | GK104 | 93,413 | 3,892 | 24.00 | 1 hrs 60 mins |
| 24 | GeForce 920M GK208 [GeForce 920M] |
Nvidia | GK208 | 81,543 | 8,085 | 10.09 | 2 hrs 23 mins |
| 25 | GeForce GTX 470 GF100 [GeForce GTX 470] 1088 |
Nvidia | GF100 | 47,659 | 6,790 | 7.02 | 3 hrs 25 mins |
| 26 | GeForce GTX 670M GF114 [GeForce GTX 670M] |
Nvidia | GF114 | 38,223 | 6,180 | 6.18 | 4 hrs 53 mins |
| 27 | Iris(R) Graphics 540 SKL GT3 [Iris(R) Graphics 540] |
Intel | SKL GT3 | 34,496 | 6,082 | 5.67 | 4 hrs 14 mins |
| 28 | UHD Graphics 620 KBL GT2 [UHD Graphics 620] |
Intel | KBL GT2 | 34,366 | 6,083 | 5.65 | 4 hrs 15 mins |
| 29 | GeForce GT 710 GK208B [GeForce GT 710] 366 |
Nvidia | GK208B | 25,977 | 5,517 | 4.71 | 5 hrs 6 mins |
| 30 | HD Graphics 630 KBL GT2 [HD Graphics 630] |
Intel | KBL GT2 | 25,322 | 5,485 | 4.62 | 5 hrs 12 mins |
| 31 | GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691 |
Nvidia | GF116 | 23,644 | 4,945 | 4.78 | 5 hrs 1 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 |
|---|