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Mississippi State University
- Starkville, MS
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19:55
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ML-Project---GLN
ML-Project---GLN PublicForked from Hanjun-Dai/GLN
Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
Python
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CD-CBMC
CD-CBMC PublicCoupled-Decoupled Configurational Bias Monte Carlo for Simulating Large Molecules in the Condensed Phase
Fortran
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VASPScriptKit
VASPScriptKit PublicA collection of Python and Bash Scripts Meant to Aid in VASP calculations
Python
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ParallelProgramming
ParallelProgramming PublicRepository that teaches how to program using parallel libraries in Python, Fortran, and C++
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MetropolisMonteCarlo
MetropolisMonteCarlo PublicRepository where the Metropolis Monte Carlo algorithm is used to plot energy, and average heat capacity of liquid argon over the simulation. This is implemented in different languages so anyone can…
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mosdef-workflows
mosdef-workflows PublicForked from mosdef-hub/mosdef-workflows
Sample molecular simulation workflows using a MoSDeF and community tools
Jupyter Notebook
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