PROJECT #18108 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

Here we are testing what has long been the dream on F@h --- adaptive sampling algorithms guided by experimental data. The system used is caspase-7, one of a family of important mediators of apoptosis, and hence of interest for cancer drug design. We have collected experimental hydrogen-deuterium exchange (HDX) data (which informs on the extent of fluctuations of each region of the protein) in both apo (just protein) and holo (protein with another peptide bound) states, and are exploring adaptive sampling algorithms to reproduce the HDX data in each state separately, as well as the differences ('shielding') between them. All data is being made publicly available at https://console.cloud.google.com/storage/browser/stxfah-bucket, and insight into the algorithmic methodology will be published.

This is a project run by Roivant Sciences (formerly Silicon Therapeutics) as was officially announced in this press release: https://foldingathome.org/2021/04/20/maximizing-the-impact-of-foldinghome-by-engaging-industry-collaborators/ 

All data is being made publicly available as soon as it is received at https://console.cloud.google.com/storage/browser/stxfah-bucket

PROJECT INFO

Manager(s): Rafal Wiewiora

Institution: Roivant Sciences (Silicon Therapeutics)

Project URL: roivant.com

PROJECT WORK UNIT SUMMARY

Atoms: 86,257

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 27 September 2021 14:58:25

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 6,336,649 541,642 11.70 2 hrs 3 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,761,289 520,043 11.08 2 hrs 10 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,060,582 465,710 8.72 3 hrs 45 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,043,098 467,161 8.65 3 hrs 46 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,588,141 447,519 8.02 3 hrs 60 mins
6 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 3,014,760 423,294 7.12 3 hrs 22 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,756,772 410,365 6.72 4 hrs 34 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,524,148 398,744 6.33 4 hrs 47 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,351,049 390,468 6.02 4 hrs 59 mins
10 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,341,176 388,097 6.03 4 hrs 59 mins
11 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,254,395 384,203 5.87 4 hrs 5 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,152,881 378,772 5.68 4 hrs 13 mins
13 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 1,940,097 364,987 5.32 5 hrs 31 mins
14 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,821,615 358,681 5.08 5 hrs 44 mins
15 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,813,315 357,015 5.08 5 hrs 44 mins
16 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,190,451 310,555 3.83 6 hrs 16 mins
17 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,132,430 305,183 3.71 6 hrs 28 mins
18 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 938,889 286,893 3.27 7 hrs 20 mins
19 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 813,717 263,409 3.09 8 hrs 46 mins
20 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 638,560 253,773 2.52 10 hrs 32 mins
21 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 559,344 241,718 2.31 10 hrs 22 mins
22 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 502,138 233,439 2.15 11 hrs 9 mins
23 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 306,269 197,560 1.55 15 hrs 29 mins
24 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 244,438 134,841 1.81 13 hrs 14 mins
25 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 104,443 133,474 0.78 31 hrs 40 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 27 September 2021 14:58:25

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make