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Research: PILLARARENE-LIGAND-BINDING Folding Project #18433

Project #18433 overview

Project Summary AI Beta

This project tests computer models by simulating how small molecules fit inside a special molecule shaped like a barrel. This helps scientists develop new drugs faster and more efficiently.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
8,500
Core
GRO_A8
Status
Public
Source material

Official Project Description

These projects are simulations of so-called "host-guest" interactions, designed to test our ability to accurately predict the free energy of ligand binding.

The "host" in this particular system is a barrel-shaped pillarene with acidic functional groups, while the "guests" are cationic small molecules that like to bind inside the barrel.

Benchmarks like these are essential to continue advancing computational drug discovery efforts.

Performance data

Hardware Performance for Project 18433

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

Data as of Sunday, 02 August 2026 21:51:33

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 7 5700G 16 39,239 627,824 AMD
2 RYZEN 7 5800X 8-CORE 16 34,538 552,608 AMD
3 RYZEN 9 3900X 12-CORE 24 19,619 470,856 AMD
4 RYZEN 9 3900 12-CORE 24 16,232 389,568 AMD
5 11TH GEN CORE I9-11900K @ 3.50GHZ 16 21,727 347,632 Intel
6 RYZEN 7 3800X 8-CORE 16 16,134 258,144 AMD
7 12TH GEN CORE I7-12700 20 12,384 247,680 Intel
8 RYZEN 7 3700X 8-CORE 16 13,762 220,192 AMD
9 RYZEN 9 5900HS 16 12,180 194,880 AMD
10 RYZEN 5 5600X 6-CORE 12 15,457 185,484 AMD
11 RYZEN 5 2600X SIX-CORE 12 14,742 176,904 AMD
12 CORE I7-8700 CPU @ 3.20GHZ 12 13,995 167,940 Intel
13 CORE I7-5960X CPU @ 3.00GHZ 16 9,855 157,680 Intel
14 RYZEN 7 1700 EIGHT-CORE 16 9,672 154,752 AMD
15 CORE I5-10400 CPU @ 2.90GHZ 12 11,329 135,948 Intel
16 RYZEN 5 3600 6-CORE 12 11,134 133,608 AMD
17 CORE I7-9700K CPU @ 3.60GHZ 8 16,154 129,232 Intel
18 RYZEN 5 3600XT 6-CORE 12 10,097 121,164 AMD
19 CORE I5-9600K CPU @ 3.70GHZ 6 20,050 120,300 Intel
20 RYZEN 5 5600G 12 9,904 118,848 AMD
21 11TH GEN CORE I5-11400 @ 2.60GHZ 12 9,275 111,300 Intel
22 GENUINE CPU 0000 @ 2.70GHZ 8 12,976 103,808 Intel
23 XEON CPU X5570 @ 2.93GHZ 16 6,181 98,896 Intel
24 CORE I7-7700 CPU @ 3.60GHZ 8 10,710 85,680 Intel
25 CORE I7-4790K CPU @ 4.00GHZ 8 10,213 81,704 Intel
26 RYZEN 5 1600 SIX-CORE 12 6,738 80,856 AMD
27 RYZEN 5 2600 SIX-CORE 12 6,721 80,652 AMD
28 CORE I7-10750H CPU @ 2.60GHZ 12 6,260 75,120 Intel
29 CORE I7-6700 CPU @ 3.40GHZ 8 9,206 73,648 Intel
30 XEON CPU E5-2680 0 @ 2.70GHZ 16 4,410 70,560 Intel
31 CORE I7-8705G CPU @ 3.10GHZ 8 8,741 69,928 Intel
32 RYZEN 3 3200G 4 17,043 68,172 AMD
33 CORE I7-3720QM CPU @ 2.60GHZ 8 7,229 57,832 Intel
34 CORE I7-6700K CPU @ 4.00GHZ 8 7,221 57,768 Intel
35 CORE I9-8950HK CPU @ 2.90GHZ 12 4,792 57,504 Intel
36 CORE I5-8300H CPU @ 2.30GHZ 8 7,120 56,960 Intel
37 XEON W-10855M CPU @ 2.80GHZ 12 4,571 54,852 Intel
38 CORE I7-7700K CPU @ 4.20GHZ 8 6,632 53,056 Intel
39 CORE I5-8259U CPU @ 2.30GHZ 8 6,303 50,424 Intel
40 CORE I7-4770HQ CPU @ 2.20GHZ 8 6,120 48,960 Intel
41 XEON CPU E5-1620 0 @ 3.60GHZ 8 5,984 47,872 Intel
42 11TH GEN CORE I5-1135G7 @ 2.40GHZ 8 5,841 46,728 Intel
43 CORE I5-4590 CPU @ 3.30GHZ 4 11,668 46,672 Intel
44 CORE I7-4790T CPU @ 2.70GHZ 8 5,722 45,776 Intel
45 CORE I5-9300H CPU @ 2.40GHZ 8 5,596 44,768 Intel
46 XEON CPU E3-1240 V2 @ 3.40GHZ 8 5,567 44,536 Intel
47 CORE I5-4570 CPU @ 3.20GHZ 4 11,100 44,400 Intel
48 CORE I7-3770 CPU @ 3.40GHZ 8 5,432 43,456 Intel
49 CORE I5-8265U CPU @ 1.60GHZ 8 5,191 41,528 Intel
50 CORE I7-4770K CPU @ 3.50GHZ 8 5,071 40,568 Intel
51 CORE I7-8650U CPU @ 1.90GHZ 8 4,953 39,624 Intel
52 CORE I7-6700HQ CPU @ 2.60GHZ 8 4,821 38,568 Intel
53 CORE I5-3570 CPU @ 3.40GHZ 4 9,540 38,160 Intel
54 XEON CPU E3-1220 V2 @ 3.10GHZ 4 8,700 34,800 Intel
55 CORE I7-10610U CPU @ 1.80GHZ 8 4,032 32,256 Intel
56 CORE I7-8850H CPU @ 2.60GHZ 12 2,624 31,488 Intel
57 XEON CPU E3-1245 V2 @ 3.40GHZ 8 3,873 30,984 Intel
58 XEON CPU E5-2450 0 @ 2.10GHZ 10 3,001 30,010 Intel
59 CORE I7-9750H CPU @ 2.60GHZ 12 2,423 29,076 Intel
60 XEON CPU E31245 @ 3.30GHZ 8 3,559 28,472 Intel
61 XEON CPU W3550 @ 3.07GHZ 8 3,400 27,200 Intel
62 XEON CPU E5-2620 0 @ 2.00GHZ 12 2,113 25,356 Intel
63 CORE I5-3470 CPU @ 3.20GHZ 4 5,530 22,120 Intel
64 CORE I7-7Y75 CPU @ 1.30GHZ 4 4,233 16,932 Intel
65 CORE I7-2600 CPU @ 3.40GHZ 8 2,114 16,912 Intel
66 CORE I5-4300U CPU @ 1.90GHZ 4 3,902 15,608 Intel
67 PENTIUM(R) SILVER N5000 CPU @ 1.10GHZ 4 3,698 14,792 Intel
68 CORE I7-8750H CPU @ 2.20GHZ 12 1,212 14,544 Intel
69 CORE I5-7200U CPU @ 2.50GHZ 4 3,008 12,032 Intel
70 CORE I3-6006U CPU @ 2.00GHZ 4 2,584 10,336 Intel
71 CORE I3-1000NG4 CPU @ 1.10GHZ 4 1,040 4,160 Intel
72 FX-4300 QUAD-CORE 4 380 1,520 AMD