PROJECT #13457 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 Monday, 20 March 2023 06:14:58

Rank Project	Model Name Folding@Home Identifier	Make Brand	GPU Model	PPD Average	Points WU Average	WUs Day Average	WU Time Average
1	Tesla P4 GP104GL [Tesla P4] 5704	Nvidia	GP104GL	901,891	17,397	51.84	0 ^hrs 28 ^mins
2	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	722,379	16,722	43.20	0 ^hrs 33 ^mins
3	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	706,303	16,305	43.32	0 ^hrs 33 ^mins
4	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	566,402	15,078	37.56	0 ^hrs 38 ^mins
5	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	468,044	14,334	32.65	0 ^hrs 44 ^mins
6	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	441,320	13,564	32.54	0 ^hrs 44 ^mins
7	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	331,256	12,790	25.90	0 ^hrs 56 ^mins
8	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	290,985	12,160	23.93	1 ^hrs 0 ^mins
9	Quadro P5000 GP104GL [Quadro P5000]	Nvidia	GP104GL	279,615	6,796	41.14	0 ^hrs 35 ^mins
10	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	267,174	11,548	23.14	1 ^hrs 2 ^mins
11	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	216,668	10,920	19.84	1 ^hrs 13 ^mins
12	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	214,419	10,903	19.67	1 ^hrs 13 ^mins
13	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	196,663	10,532	18.67	1 ^hrs 17 ^mins
14	GeForce GTX 750 GM107 [GeForce GTX 750] 1111	Nvidia	GM107	179,070	10,299	17.39	1 ^hrs 23 ^mins
15	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	158,410	9,374	16.90	1 ^hrs 25 ^mins
16	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	151,870	9,899	15.34	2 ^hrs 34 ^mins
17	GTX 650 Ti Boost GK106 [GTX 650 Ti Boost]	Nvidia	GK106	144,820	9,367	15.46	2 ^hrs 33 ^mins
18	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	105,540	8,670	12.17	2 ^hrs 58 ^mins
19	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	80,063	8,079	9.91	2 ^hrs 25 ^mins
20	GeForce 920M GK208 [GeForce 920M]	Nvidia	GK208	41,850	6,513	6.43	4 ^hrs 44 ^mins
21	HD Graphics 530 SKL GT2 [HD Graphics 530]	Intel	SKL GT2	36,972	6,191	5.97	4 ^hrs 1 ^mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA