Research section Research projects and references

Research: CANCER Folding Project #12495

Project #12495 overview

Project Summary AI Beta

This project uses computer simulations to figure out how well drugs bind to their targets. People can submit ideas for these simulations through alchemiscale.org, and powerful computers run the calculations. This helps scientists develop new medicines.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
30,000
Core
0x27
Status
Public
Source material

Official Project Description

These projects are relative binding free energy calculations orchestrated via alchemiscale.org.

Networks of alchemical transformations are submitted by alchemiscale users, and transformations that can be performed by Folding@Home are executed via these projects. This work, a collaboration between the Voelz and Shirts lab, seeks to test and apply OpenFreeEnergy methods for drug discovery.

Performance data

Hardware Performance for Project 12495

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

Data as of Sunday, 02 August 2026 22:08:37

GPU PPD Averages

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 3,643,318 22,200 164.11 0 hrs 9 mins
2 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 Super]
Nvidia TU106 2,929,544 22,200 131.96 0 hrs 11 mins
3 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,708,196 22,200 121.99 0 hrs 12 mins
4 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 2,702,028 22,200 121.71 0 hrs 12 mins
5 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 2,085,873 22,200 93.96 0 hrs 15 mins
6 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 383,476 22,200 17.27 1 hrs 23 mins
7 Vega Mobile 5000 series APU
Cezanne [Vega Mobile 5000 series APU]
AMD Cezanne 50,261 22,200 2.26 10 hrs 36 mins