ACEMD 3: molecular dynamics simulations for GPUs | |||
---|---|---|---|
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 2.34 (cuda1121) | 26 Feb 2025, 15:52:53 UTC | 811 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 2.34 (cuda1121) | 26 Feb 2025, 15:53:08 UTC | 533 GigaFLOPS |
ATM: Free energy calculations of protein-ligand binding | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.20 (cuda1121) | 8 May 2025, 12:51:28 UTC | 31,205 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.20 (cuda1121) | 8 May 2025, 12:51:40 UTC | 43,832 GigaFLOPS |
ATMbeta: Free energy calculations of protein-ligand binding (beta test) | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.14 (cuda1121) | 25 Nov 2024, 11:43:38 UTC | 2,891 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.14 (cuda1121) | 25 Nov 2024, 11:43:18 UTC | 7,391 GigaFLOPS |
Quantum chemistry calculations on GPU | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.08 (cuda1188) | 3 Apr 2025, 15:20:34 UTC | 141 GigaFLOPS |
ATMML: Free energy with neural networks | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.02 (cuda1121) | 27 Feb 2025, 11:56:18 UTC | 10,644 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.02 (cuda1121) | 27 Feb 2025, 12:01:50 UTC | 7,315 GigaFLOPS |
LLM: LLMs for chemistry | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.00 (cuda124L) | 9 Apr 2025, 12:24:05 UTC | 8,334 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.01 (cuda124L) | 24 Apr 2025, 8:47:45 UTC | 10,966 GigaFLOPS |
LLMS: LLMs for chemistry (Small) | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.00 (cuda124S) | 24 Apr 2025, 19:26:21 UTC | 25,619 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.00 (cuda124S) | 24 Apr 2025, 19:40:10 UTC | 16,721 GigaFLOPS |
Total average computing: 166,403 GigaFLOPS
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