Folding.LAR.Systems Folding.LAR.Systems Folding.LAR.Systems Folding.LAR.Systems
Research section Research projects and references
  1. Projects
  2. Research Project Folding Profile

Research: CANCER Folding Project #18491

Project #18491 overview

Project Summary AI Beta

This project looks at how computer simulations can predict how well medicines dissolve in water versus oil. This is important because the way a drug dissolves affects how it works in your body. The project uses special computer models called 'expanded-ensemble' to make these predictions.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
14,100
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 coeffient, 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..

Performance data

Hardware Performance for Project 18491

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

Data as of Sunday, 02 August 2026 21:50:51

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 9 7950X 16-CORE 32 36,549 1,169,568 AMD
2 RYZEN 9 9950X 16-CORE 32 32,304 1,033,728 AMD
3 12TH GEN CORE I9-12900K 24 40,712 977,088 Intel
4 RYZEN 9 7950X3D 16-CORE 32 24,553 785,696 AMD
5 RYZEN THREADRIPPER 3970X 32-CORE 64 11,916 762,624 AMD
6 RYZEN 9 7900X 12-CORE 24 30,393 729,432 AMD
7 RYZEN THREADRIPPER 3960X 24-CORE 48 13,526 649,248 AMD
8 RYZEN 9 5950X 16-CORE 32 17,868 571,776 AMD
9 RYZEN 7 7700X 8-CORE 16 33,027 528,432 AMD
10 RYZEN 9 7900 12-CORE 24 21,204 508,896 AMD
11 RYZEN 7 7800X3D 8-CORE 16 29,226 467,616 AMD
12 CORE I5-14600K 20 23,169 463,380 Intel
13 RYZEN 5 7600X 6-CORE 12 36,606 439,272 AMD
14 12TH GEN CORE I7-12700F 20 21,190 423,800 Intel
15 APPLE M2 ULTRA 24 17,283 414,792 Apple
16 RYZEN 5 7600 6-CORE 12 34,096 409,152 AMD
17 RYZEN 7 5700X 8-CORE 16 24,687 394,992 AMD
18 13TH GEN CORE I9-13900KF 32 12,027 384,864 Intel
19 RYZEN 7 5800X 8-CORE 16 23,134 370,144 AMD
20 XEON CPU E5-2696 V4 @ 2.20GHZ 44 8,324 366,256 Intel
21 13TH GEN CORE I9-13900K 32 11,393 364,576 Intel
22 RYZEN 7 5800X3D 8-CORE 16 22,361 357,776 AMD
23 RYZEN 7 3800X 8-CORE 16 21,420 342,720 AMD
24 CORE I9-10900K CPU @ 3.70GHZ 20 16,265 325,300 Intel
25 RYZEN 9 5900X 12-CORE 24 13,545 325,080 AMD
26 13TH GEN CORE I5-13600K 14 22,301 312,214 Intel
27 RYZEN 9 3900X 12-CORE 24 12,732 305,568 AMD
28 CORE I9-14900K 32 9,190 294,080 Intel
29 RYZEN 9 7900X3D 12-CORE 24 11,695 280,680 AMD
30 XEON CPU E5-2680 V2 @ 2.80GHZ 40 6,971 278,840 Intel
31 RYZEN THREADRIPPER 2950X 16-CORE 32 8,351 267,232 AMD
32 CORE I7-7820X CPU @ 3.60GHZ 16 16,407 262,512 Intel
33 13TH GEN CORE I5-13500 20 13,093 261,860 Intel
34 RYZEN 9 5900 12-CORE 24 10,644 255,456 AMD
35 RYZEN 9 3950X 16-CORE 32 7,807 249,824 AMD
36 CORE I7-10700K CPU @ 3.80GHZ 16 15,541 248,656 Intel
37 CORE I9-14900KF 24 10,333 247,992 Intel
38 RYZEN 7 5700G 16 15,016 240,256 AMD
39 RYZEN 5 5600 6-CORE 12 19,540 234,480 AMD
40 RYZEN 5 5600G 12 19,286 231,432 AMD
41 13TH GEN CORE I7-13700 24 9,402 225,648 Intel
42 12TH GEN CORE I7-12700K 20 10,946 218,920 Intel
43 RYZEN 5 5600X 6-CORE 12 17,192 206,304 AMD
44 CORE I7-10700 CPU @ 2.90GHZ 16 12,169 194,704 Intel
45 13TH GEN CORE I7-1370P 20 9,729 194,580 Intel
46 11TH GEN CORE I7-11700F @ 2.50GHZ 16 11,205 179,280 Intel
47 RYZEN 5 3600 6-CORE 12 13,574 162,888 AMD
48 RYZEN 7 2700X EIGHT-CORE 16 10,093 161,488 AMD
49 CORE I5-8600K CPU @ 3.60GHZ 6 26,897 161,382 Intel
50 RYZEN 7 5700X3D 8-CORE 16 9,735 155,760 AMD
51 RYZEN 9 3900XT 12-CORE 24 6,224 149,376 AMD
52 RYZEN 5 7535HS 12 12,419 149,028 AMD
53 RYZEN 5 5500 12 12,219 146,628 AMD
54 CORE I7-9700 CPU @ 3.00GHZ 8 18,129 145,032 Intel
55 RYZEN 7 3700X 8-CORE 16 8,855 141,680 AMD
56 CORE I5-10600KF CPU @ 4.10GHZ 12 11,707 140,484 Intel
57 RYZEN 7 5800H 16 8,655 138,480 AMD
58 CORE I7-5930K CPU @ 3.50GHZ 12 10,932 131,184 Intel
59 11TH GEN CORE I7-11800H @ 2.30GHZ 16 8,155 130,480 Intel
60 13TH GEN CORE I7-13700K 24 5,402 129,648 Intel
61 CORE I7-8700K CPU @ 3.70GHZ 12 10,652 127,824 Intel
62 11TH GEN CORE I9-11900F @ 2.50GHZ 16 7,803 124,848 Intel
63 11TH GEN CORE I7-11850H @ 2.50GHZ 16 7,753 124,048 Intel
64 CORE I9-8950HK CPU @ 2.90GHZ 12 10,187 122,244 Intel
65 XEON CPU E5-2640 V3 @ 2.60GHZ 16 7,166 114,656 Intel
66 XEON SILVER 4114 CPU @ 2.20GHZ 40 2,841 113,640 Intel
67 CORE I7-4930K CPU @ 3.40GHZ 12 9,062 108,744 Intel
68 CORE I5-14500 20 5,099 101,980 Intel
69 CORE I7-10700T CPU @ 2.00GHZ 16 5,920 94,720 Intel
70 XEON CPU X5690 @ 3.47GHZ 24 3,861 92,664 Intel
71 CORE I5-5675R CPU @ 3.10GHZ 4 22,556 90,224 Intel
72 12TH GEN CORE I7-12700H 20 4,283 85,660 Intel
73 CORE I7-6950X CPU @ 3.00GHZ 20 4,211 84,220 Intel
74 CORE I7-3820 CPU @ 3.60GHZ 8 10,417 83,336 Intel
75 CORE I7-4790K CPU @ 4.00GHZ 8 10,406 83,248 Intel
76 EPYC 7543P 32-CORE 8 10,294 82,352 AMD
77 XEON CPU E3-1270 V5 @ 3.60GHZ 8 10,102 80,816 Intel
78 RYZEN 5 2600X SIX-CORE 12 6,700 80,400 AMD
79 CORE I7-9750H CPU @ 2.60GHZ 12 6,606 79,272 Intel
80 CORE I7-8705G CPU @ 3.10GHZ 8 9,855 78,840 Intel
81 CORE I7-4770HQ CPU @ 2.20GHZ 8 9,836 78,688 Intel
82 CORE I7-5820K CPU @ 3.30GHZ 12 6,250 75,000 Intel
83 CORE I5-4690 CPU @ 3.50GHZ 4 18,174 72,696 Intel
84 CORE I5-9300H CPU @ 2.40GHZ 8 8,228 65,824 Intel
85 CORE I7-6700K CPU @ 4.00GHZ 8 8,036 64,288 Intel
86 CORE I7-3770K CPU @ 3.50GHZ 8 7,976 63,808 Intel
87 CORE I5-6500 CPU @ 3.20GHZ 4 15,290 61,160 Intel
88 XEON CPU E5-2680 0 @ 2.70GHZ 16 3,790 60,640 Intel
89 11TH GEN CORE I7-11700 @ 2.50GHZ 16 3,670 58,720 Intel
90 CORE I5-6600K CPU @ 3.50GHZ 4 14,359 57,436 Intel
91 CORE I7-4770K CPU @ 3.50GHZ 8 7,123 56,984 Intel
92 CORE I7-10750H CPU @ 2.60GHZ 12 4,726 56,712 Intel
93 CORE I5-8500T CPU @ 2.10GHZ 6 9,294 55,764 Intel
94 XEON CPU E3-1245 V3 @ 3.40GHZ 8 6,925 55,400 Intel
95 XEON CPU E5-2697 V2 @ 2.70GHZ 24 2,272 54,528 Intel
96 CORE I7-3770 CPU @ 3.40GHZ 8 6,735 53,880 Intel
97 CORE I5-4590 CPU @ 3.30GHZ 4 13,434 53,736 Intel
98 CORE I7-6700 CPU @ 3.40GHZ 8 6,642 53,136 Intel
99 CORE I7-7700HQ CPU @ 2.80GHZ 8 6,495 51,960 Intel
100 XEON CPU E5-1620 0 @ 3.60GHZ 8 6,366 50,928 Intel
101 CORE I5-4570S CPU @ 2.90GHZ 4 12,621 50,484 Intel
102 CORE I5-3470S CPU @ 2.90GHZ 4 11,904 47,616 Intel
103 RYZEN 5 5500U 12 3,753 45,036 AMD
104 CORE I7-14700K 28 1,578 44,184 Intel
105 APPLE M1 8 5,523 44,184 Apple
106 CORE I5-8400 CPU @ 2.80GHZ 6 7,216 43,296 Intel
107 APPLE M2 MAX 12 3,471 41,652 Apple
108 CORE I7-8665U CPU @ 1.90GHZ 8 5,198 41,584 Intel
109 XEON CPU E5-1630 V3 @ 3.70GHZ 8 5,142 41,136 Intel
110 RYZEN 7 4800U 16 1,943 31,088 AMD
111 12TH GEN CORE I5-12600KF 16 1,727 27,632 Intel
112 CORE I7-7600U CPU @ 2.80GHZ 4 6,471 25,884 Intel
113 CORE I7-8550U CPU @ 1.80GHZ 8 3,009 24,072 Intel
114 CORE I7-2760QM CPU @ 2.40GHZ 8 2,980 23,840 Intel
115 12TH GEN CORE I9-12900H 20 1,135 22,700 Intel
116 CORE I5-10310U CPU @ 1.70GHZ 8 2,789 22,312 Intel
117 CORE I3-2120 CPU @ 3.30GHZ 4 4,418 17,672 Intel
118 CORE I3-3110M CPU @ 2.40GHZ 4 3,418 13,672 Intel
119 CORE I3-5005U CPU @ 2.00GHZ 4 3,145 12,580 Intel
120 CORE I7 CPU 975 @ 3.33GHZ 8 1,341 10,728 Intel
121 CORE I3-6006U CPU @ 2.00GHZ 4 2,371 9,484 Intel