Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language حسب K. Grace Johnson (9040330)

الموضوعات:

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"

TITR Algorithm Overview. The workflow of the TITR algorithm is shown describing each step, the tools used, specific conditions, and the output. حسب Bradley Crone (19346873)

Schematic diagram of dynamic step size expansion. حسب Zhenggang Wang (1753657)

الموضوعات: "…target gravitational function…"

Flowchart of DAPF-RRT algorithm. حسب Zhenggang Wang (1753657)

الموضوعات: "…target gravitational function…"

Performance comparison of different algorithms. حسب Zhenggang Wang (1753657)

الموضوعات: "…target gravitational function…"

Functional effect prediction of FUS mutations by ten nsSNP prediction algorithms. حسب L. F. S. Bonet (11502082)

Reconstruction errors and their variability due to stochastic steps in the algorithms. حسب Hanane Omichessan (4991552)

The optimal solution set of NYN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

The optimal solution set of HN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

Scoring schemes used to predict interfaces. حسب Chloé Dequeker (4966165)

الموضوعات:

Data_Sheet_1_Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS.PDF حسب Zhaolong Luo (9692087)

الموضوعات: "…Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics)…"

Node matching step 1. حسب Shuwen Wang (457921)

Data_Sheet_1_Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, Cn (n = 3–6, 10).doc حسب Gourhari Jana (4015469)

الموضوعات: "…Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics)…"

Data_Sheet_2_Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, Cn (n = 3–6, 10).doc حسب Gourhari Jana (4015469)

الموضوعات: "…Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics)…"

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses حسب Dominykas Lukauskis (14143149)

"…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …"

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses حسب Dominykas Lukauskis (14143149)

"…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …"

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses حسب Dominykas Lukauskis (14143149)

"…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …"

Convergence of the Cut Value of QFMA as a function of steps for the G1 problem. حسب Máté Tibor Veszeli (12160786)

Comparison of experimental results in path steps for 8–12 irregular obstacles. حسب Ying Li (38224)