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Research: CANCER Folding Project #12465

Project #12465 overview

Project Summary AI Beta

This project explores using computer simulations to predict how well drugs dissolve in water versus fat. This 'logP' value is important because it affects how well a drug works in the body. Researchers are testing different simulation methods and seeing if different computer models impact the accuracy of these predictions.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
17,300
Core
0xa8
Status
Public
Source material

Official Project Description

A key challenge in computational drug discovery is developing and testing methods to predict experimental partition coefficients for the relative solubility of organic molecules in aqueous vs.

non-polar media.

The logarithm of the partition coefficient, logP, is an important predictor of lipophilicity, which dictates the bioavailability of drugs.

This CPU project is testing expanded-ensemble (EE) simulations as a method for the calculation of logP and seeing if forcefield selection effects these calculations.

Performance data

Hardware Performance for Project 12465

Compare community-sampled Folding@Home output for the GPUs and CPUs processing this project.

Data as of Sunday, 02 August 2026 22:09:02

CPU PPD Averages Beta

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 RYZEN THREADRIPPER 7980X 64-CORES 64 57,644 3,689,216 AMD
2 CORE ULTRA 7 265K 20 78,243 1,564,860 Intel
3 RYZEN 9 9950X 16-CORE 32 36,924 1,181,568 AMD
4 RYZEN 7 7700X 8-CORE 16 68,638 1,098,208 AMD
5 RYZEN 9 7900X 12-CORE 24 33,240 797,760 AMD
6 RYZEN 7 5800X3D 8-CORE 16 47,112 753,792 AMD
7 RYZEN 9 7950X3D 16-CORE 32 21,539 689,248 AMD
8 RYZEN 7 7700 8-CORE 16 38,658 618,528 AMD
9 RYZEN 9 7900 12-CORE 24 25,267 606,408 AMD
10 RYZEN 7 7800X3D 8-CORE 16 37,655 602,480 AMD
11 RYZEN 9 5950X 16-CORE 32 16,156 516,992 AMD
12 RYZEN 9 3950X 16-CORE 32 15,720 503,040 AMD
13 12TH GEN CORE I5-12400F 12 39,705 476,460 Intel
14 12TH GEN CORE I7-12700F 20 21,657 433,140 Intel
15 RYZEN 7 5700X3D 8-CORE 16 26,356 421,696 AMD
16 RYZEN 9 3900X 12-CORE 24 17,114 410,736 AMD
17 13TH GEN CORE I5-13600K 14 27,780 388,920 Intel
18 RYZEN 7 5700G 16 20,840 333,440 AMD
19 RYZEN 7 5700X 8-CORE 16 19,386 310,176 AMD
20 RYZEN 5 5600G 12 22,902 274,824 AMD
21 CORE I7-10700K CPU @ 3.80GHZ 16 16,179 258,864 Intel
22 RYZEN 5 5600 6-CORE 12 17,019 204,228 AMD
23 RYZEN 7 3700X 8-CORE 16 12,658 202,528 AMD
24 11TH GEN CORE I7-11800H @ 2.30GHZ 16 11,799 188,784 Intel
25 RYZEN 7 5800H 16 11,701 187,216 AMD
26 RYZEN 5 5600X 6-CORE 12 13,478 161,736 AMD
27 CORE I7-5820K CPU @ 3.30GHZ 12 10,460 125,520 Intel
28 XEON CPU E5-2630 V4 @ 2.20GHZ 40 2,991 119,640 Intel
29 CORE I7-8700 CPU @ 3.20GHZ 12 9,791 117,492 Intel
30 11TH GEN CORE I7-11700F @ 2.50GHZ 16 6,661 106,576 Intel
31 CORE I5-14500 20 5,064 101,280 Intel
32 RYZEN 5 5500U 12 8,219 98,628 AMD
33 CORE I5-10400 CPU @ 2.90GHZ 12 6,955 83,460 Intel
34 RYZEN 5 3400G 8 9,961 79,688 AMD
35 11TH GEN CORE I5-11400 @ 2.60GHZ 12 5,427 65,124 Intel