computational-chemistry

computational-chemistry

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Knowledge Base Resources

Title Category Tags Skill Level
CHARMM Links to Install, Run, and Troubleshoot MD Simulations Learning charmmmolecular-dynamicsnamd +1 more tags Beginner, Intermediate
DeepChem Tool pytorchtensorflowcomputational-chemistry Beginner, Intermediate, Advanced
Gaussian 16 Tool gaussiancomputational-chemistry Intermediate, Advanced

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Rocio Lavado

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David Liu

Purdue University

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CCMNet, ACCESS CSSN

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mentor, researcher/educator, research computing facilitator, cssn, CIP, CCMNet

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Jacob Fosso Tande

North Carolina State University

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California State University-San Bernardino

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Virginia Polytechnic Institute and State University

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Cristian Sayers

Lewis University

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