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Research: CANCER Folding Project #12464

Project #12464 overview

Project Summary AI Beta

This project is figuring out if computer simulations can predict how well drugs dissolve in the body. It's testing different simulation methods and seeing if the choice of software affects the results. This helps scientists design better medicines!
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
7,600
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 12464

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

Data as of Sunday, 02 August 2026 22:09:03

CPU PPD Averages Beta

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 CORE ULTRA 7 265K 20 59,772 1,195,440 Intel
2 RYZEN 9 9950X 16-CORE 32 35,963 1,150,816 AMD
3 RYZEN 9 7950X3D 16-CORE 32 34,691 1,110,112 AMD
4 APPLE M4 PRO 14 75,283 1,053,962 Apple
5 12TH GEN CORE I7-12700K 20 47,009 940,180 Intel
6 RYZEN 7 7700 8-CORE 16 49,925 798,800 AMD
7 RYZEN 7 7800X3D 8-CORE 16 49,302 788,832 AMD
8 RYZEN 9 7900 12-CORE 24 28,911 693,864 AMD
9 RYZEN 9 7900X 12-CORE 24 28,638 687,312 AMD
10 RYZEN 9 5950X 16-CORE 32 16,610 531,520 AMD
11 12TH GEN CORE I7-12700F 20 22,799 455,980 Intel
12 RYZEN 7 5700X 8-CORE 16 28,272 452,352 AMD
13 RYZEN 7 5700X3D 8-CORE 16 27,709 443,344 AMD
14 RYZEN 9 3950X 16-CORE 32 12,405 396,960 AMD
15 RYZEN 5 5600X 6-CORE 12 29,853 358,236 AMD
16 RYZEN 5 5600G 12 26,629 319,548 AMD
17 13TH GEN CORE I5-13600K 14 21,898 306,572 Intel
18 RYZEN 5 5600 6-CORE 12 25,383 304,596 AMD
19 RYZEN 7 5700G 16 15,730 251,680 AMD
20 RYZEN 9 3900X 12-CORE 24 9,476 227,424 AMD
21 RYZEN 7 8845HS W/ RADEON(TM) 780M GRAPHICS 16 13,470 215,520 AMD
22 XEON CPU E5-2680 V2 @ 2.80GHZ 40 5,273 210,920 Intel
23 RYZEN THREADRIPPER 2950X 16-CORE 32 5,929 189,728 AMD
24 11TH GEN CORE I7-11800H @ 2.30GHZ 16 10,194 163,104 Intel
25 RYZEN 7 5800H 16 10,052 160,832 AMD
26 11TH GEN CORE I5-11400F @ 2.60GHZ 12 12,776 153,312 Intel
27 RYZEN 7 3700X 8-CORE 16 8,855 141,680 AMD
28 APPLE M3 8 17,335 138,680 Apple
29 RYZEN 9 3900XT 12-CORE 24 5,761 138,264 AMD
30 APPLE M1 8 15,304 122,432 Apple
31 CORE I7-5820K CPU @ 3.30GHZ 12 10,117 121,404 Intel
32 CORE I5-14500 20 5,959 119,180 Intel
33 12TH GEN CORE I9-12900K 24 4,958 118,992 Intel
34 CORE I7-8700 CPU @ 3.20GHZ 12 9,670 116,040 Intel
35 CORE I5-9400 CPU @ 2.90GHZ 6 18,154 108,924 Intel
36 11TH GEN CORE I7-11700F @ 2.50GHZ 16 5,566 89,056 Intel
37 APPLE M2 PRO 10 7,417 74,170 Apple
38 CORE I5-10400 CPU @ 2.90GHZ 12 6,159 73,908 Intel
39 RYZEN 5 3400G 8 8,183 65,464 AMD
40 XEON CPU X5660 @ 2.80GHZ 24 2,410 57,840 Intel
41 CORE I7-10750H CPU @ 2.60GHZ 12 3,584 43,008 Intel