computational-chemistry

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Projects
Project Title Project Institution Project Owner Tags Status
Deep convolutional neural networks (dCNN) for image segmentation, instance labeling, and tracking. University of Delaware Anita Schwartz Researcher-facing, Domain-Specific, bioinformatics, computational-chemistry, machine-learning, visualization, Programming-languages-and-software-support, scripting, programming, python, bash, HPC, slurm, Software-installation, tensorflow, debugging In Progress
End-to-end learning of protein-protein interactions Rutgers University–Camden Galen Collier Researcher-facing, Domain-Specific, bioinformatics, computational-chemistry, machine-learning, visualization, Programming-languages-and-software-support, programming-best-practices, scripting, programming, python, bash, HPC, slurm, Software-installation, tensorflow, tuning, debugging In Progress
Physical chemistry studies of environmental pollutant transformations: SIMION modeling of ion behavior in an electric field New Jersey Institute of Technology Galen Collier Researcher-facing, Domain-Specific, computational-chemistry, particle-physics, scripting, programming New and Recruiting
Physical chemistry studies of environmental pollutant transformations: mass spectra analysis New Jersey Institute of Technology Galen Collier Researcher-facing, Domain-Specific, computational-chemistry, particle-physics, scripting, programming, matlab New and Recruiting
Physical chemistry studies of environmental pollutant transformations: LabVIEW codes for electrostatic collection and analysis of aerosol nanoparticles New Jersey Institute of Technology Galen Collier Researcher-facing, Domain-Specific, computational-chemistry, particle-physics, scripting, programming New and Recruiting
Physical chemistry studies of environmental pollutant transformations: MATLAB codes for morphological analysis of fractal soot aggregates New Jersey Institute of Technology Galen Collier Researcher-facing, Domain-Specific, computational-chemistry, particle-physics, scripting, programming, matlab New and Recruiting
Amsterdam Modeling Suite Software Usage on Penn State’s Roar Computer Clusters Penn State University - Altoona Campus Jeffrey Nucciarone Researcher-facing, Domain-Specific, computational-chemistry, quantum-mechanics, hpc-getting-started, Tools-and-Techniques, batch-jobs, job-sizing, scheduling, terminal-emulation-and-window-management, Systems-facing, HPC-Operations, accounts, provisioning, permissions, hw-and-sw-integration, HPC, scheduler, pbs, Cluster-support, file-transfer, putty, ssh, Management/Professional Development, Technical-Training-for-HPC, Unclassified, cyberinfrastructure, HPCs In Progress
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