Engine to run Lasagne based model for Deep Learning
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mszep/LasagneEnginePython
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mszep/Quante.jlJulia
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
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The open source version of the Amazon SageMaker docs
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mszep/biomaterialsPython
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chaincap paper
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mszep/csf_toolsPython
Some tools for manipulating MCCI's civ_* files.
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mszep/deepchemPython
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
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mszep/dev-setupDhall
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mszep/ef-weekendJava
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mszep/elm_parsingHaskell
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mszep/hsdviHaskell
parser for TeX's .dvi files, built from scratch emulating the binary parser in Real World Haskell.
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mszep/jax-mdJupyter Notebook
Differentiable, Hardware Accelerated, Molecular Dynamics
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mszep/lifetimesPython
Lifetime value in Python
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mszep/matrix_toolsPython
tools for interop of fortran and numpy matrices
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mszep/mcciTcl
Monte Carlo Configuration Interaction
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mszep/mszep.comHTML
personal website
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mszep/numbaPython
NumPy aware dynamic Python compiler using LLVM
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mszep/occupation_diagramsHaskell
Produce a .svg occupation diagram from a textual CSF representation
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