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c-sat
- Referenced in 8 articles
[sw00168]
- Dual-Core Opterons on each node (32 PEs), c-sat ran at least 23 times ... faster than MiniSat using 31 PEs (geometric mean; at least 31 times for satisfiable problems...
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DP-GEN
- Referenced in 3 articles
[sw36442]
- deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially ... generating uniformly accurate deep learning based PES models in a way that minimizes human intervention ... process for generating a general-purpose PES model for Cu using...
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pFaces
- Referenced in 3 articles
[sw30630]
- magnitudes as number of processing elements (PEs) increases, which easily outperforms all the existing tools...
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pglib-uc
- Referenced in 3 articles
[sw33899]
- curated and maintained by the IEEE PES Task Force on Benchmarks for Validation of Emerging...
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POTLIB
- Referenced in 1 article
[sw08278]
- library of global chemical potential energy surface (PES) functions (91 functions in version 1.0) along ... programs, and a convenient user interface. The PES programs are written in ANSI standard FORTRAN77...
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FPQRNA
- Referenced in 1 article
[sw18995]
- systolic-like array architecture with multiple PEs (Processing Elements). We partition the tasks by columns ... assign tasks to PEs for load balance. We exploit data reuse schemes to reduce...
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PhysNet
- Referenced in 1 article
[sw40931]
- asymptotic regions of a potential energy surface (PES). PhysNet models trained on a systematically constructed ... simulations of Ala10 on the PhysNet-PES in gas phase, it is found that instead...
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PAROPT
- Referenced in 1 article
[sw11857]
- initio calculations of potential energy surfaces (PES) and ab initio analytical forces. The ability...
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PGLib-OPF
- Referenced in 1 article
[sw34018]
- curated and maintained by the IEEE PES Task Force on Benchmarks for Validation of Emerging...
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POTLIB2Math
- Referenced in 0 articles
[sw33050]
- appropriate Born–Oppenheimer potential energy surface (PES) or surfaces. For many chemical systems, such surfaces...
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LAMMPS
- Referenced in 72 articles
[sw05952]
- LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is...
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GAUSSIAN
- Referenced in 193 articles
[sw06118]
- Gaussian is an electronic structure program, used by...
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TensorFlow
- Referenced in 618 articles
[sw15170]
- TensorFlow™ is an open source software library for...
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CP2K
- Referenced in 8 articles
[sw15391]
- CP2K is a quantum chemistry and solid state...
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VASP
- Referenced in 16 articles
[sw19550]
- The Vienna Ab initio Simulation Package (VASP) is...
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Slurm
- Referenced in 17 articles
[sw25056]
- Slurm is an open source, fault-tolerant, and...
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AiiDA
- Referenced in 6 articles
[sw27272]
- AiiDA is a flexible and scalable informatics’ infrastructure...
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dpdata
- Referenced in 1 article
[sw36447]
- dpdata is a python package for manipulating DeePMD...