PROJECT #13463 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: 4,082
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Tuesday, 07 February 2023 06:14:56
|
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 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 1,302,126 | 20,374 | 63.91 | 0 hrs 23 mins |
| 2 | Quadro P2200 GP106GL [Quadro P2200] |
Nvidia | GP106GL | 1,195,597 | 19,813 | 60.34 | 0 hrs 24 mins |
| 3 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 448,948 | 14,549 | 30.86 | 0 hrs 47 mins |
| 4 | GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138 |
Nvidia | GP107 | 346,829 | 13,010 | 26.66 | 0 hrs 54 mins |
| 5 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 337,364 | 13,012 | 25.93 | 0 hrs 56 mins |
| 6 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 329,358 | 12,856 | 25.62 | 0 hrs 56 mins |
| 7 | GeForce GTX 950 GM206 [GeForce GTX 950] 1572 |
Nvidia | GM206 | 287,902 | 12,273 | 23.46 | 1 hrs 1 mins |
| 8 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 254,565 | 11,860 | 21.46 | 1 hrs 7 mins |
| 9 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 227,106 | 11,164 | 20.34 | 1 hrs 11 mins |
| 10 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 193,335 | 10,777 | 17.94 | 1 hrs 20 mins |
| 11 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 167,217 | 10,258 | 16.30 | 1 hrs 28 mins |
| 12 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 156,503 | 10,050 | 15.57 | 2 hrs 32 mins |
| 13 | GeForce GTX 770 GK104 [GeForce GTX 770] 3213 |
Nvidia | GK104 | 125,702 | 9,360 | 13.43 | 2 hrs 47 mins |
| 14 | GeForce GTX 760 GK104 [GeForce GTX 760] 2258 |
Nvidia | GK104 | 125,234 | 9,361 | 13.38 | 2 hrs 48 mins |
| 15 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 121,716 | 8,819 | 13.80 | 2 hrs 44 mins |
| 16 | GeForce GTX 750 GM107 [GeForce GTX 750] 1111 |
Nvidia | GM107 | 120,946 | 9,257 | 13.07 | 2 hrs 50 mins |
| 17 | GeForce GTX 680 GK104 [GeForce GTX 680] 3250 |
Nvidia | GK104 | 108,585 | 8,948 | 12.14 | 2 hrs 59 mins |
| 18 | GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634 |
Nvidia | GK104 | 99,011 | 8,617 | 11.49 | 2 hrs 5 mins |
| 19 | Quadro K1200 GM107GL [Quadro K1200] |
Nvidia | GM107GL | 97,765 | 8,410 | 11.62 | 2 hrs 4 mins |
| 20 | GeForce 920M GK208 [GeForce 920M] |
Nvidia | GK208 | 86,621 | 8,279 | 10.46 | 2 hrs 18 mins |
| 21 | GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389 |
Nvidia | GM107 | 82,023 | 8,156 | 10.06 | 2 hrs 23 mins |
| 22 | GeForce GTX 660 GK106 [GeForce GTX 660] |
Nvidia | GK106 | 71,262 | 7,782 | 9.16 | 3 hrs 37 mins |
| 23 | Quadro P620 GP107GL [Quadro P620] |
Nvidia | GP107GL | 58,836 | 7,154 | 8.22 | 3 hrs 55 mins |
| 24 | Polaris11 Baffin [Polaris11] |
AMD | Baffin | 53,322 | 6,786 | 7.86 | 3 hrs 3 mins |
| 25 | Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760] |
AMD | R575A | 42,874 | 6,591 | 6.50 | 4 hrs 41 mins |
| 26 | GeForce GT 710 GK208B [GeForce GT 710] 366 |
Nvidia | GK208B | 31,672 | 5,934 | 5.34 | 4 hrs 30 mins |
| 27 | GeForce GT 720 GK208 [GeForce GT 720] |
Nvidia | GK208 | 30,270 | 5,726 | 5.29 | 5 hrs 32 mins |
| 28 | GeForce GT 730 GK208B [GeForce GT 730] 692.7 |
Nvidia | GK208B | 20,822 | 5,151 | 4.04 | 6 hrs 56 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Tuesday, 07 February 2023 06:14:56
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|