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 protease 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 Tuesday, 31 January 2023 00:15:05

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	0 ^hrs 31 ^mins
2	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	674,529	16,241	41.53	0 ^hrs 35 ^mins
3	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	512,000	14,749	34.71	0 ^hrs 41 ^mins
4	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	488,502	14,703	33.22	0 ^hrs 43 ^mins
5	Quadro M2200 GM206 [Quadro M2200]	Nvidia	GM206	470,486	14,404	32.66	0 ^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	0 ^hrs 53 ^mins
7	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	346,418	12,607	27.48	0 ^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