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openmm-example-plugin
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public |
An example plugin for openmm
|
2025-03-25 |
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meld-plugin
|
public |
No Summary
|
2025-03-25 |
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eigen3
|
None |
C++ template library for linear algebra
|
2025-03-25 |
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hdf5-1814
|
None |
HDF5 pinned at 1.8.14, for use with Modeller
|
2025-03-25 |
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autoprotocol
|
public |
Python library for generating Autoprotocol
|
2025-03-25 |
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shiftx2
|
public |
SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical shifts for proteins using their structural (PDB) coordinates as input.
|
2025-03-25 |
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osprey
|
public |
|Build Status| |PyPi version| |Supported Python versions| |License|\n|Documentation Status|
|
2025-03-25 |
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gpy
|
public |
No Summary
|
2025-03-25 |
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paramz
|
public |
The Parameterization Framework
|
2025-03-25 |
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openmm-beta
|
public |
A high performance toolkit for molecular simulation.
|
2025-03-25 |
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nglview
|
public |
IPython widget to interactively view molecular structures and trajectories.
|
2025-03-25 |
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simpletraj
|
public |
Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD.
|
2025-03-25 |
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deepchem
|
public |
Deep-learning models for Drug Discovery and Quantum Chemistry
|
2025-03-25 |
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keras
|
public |
Theano-based Deep Learning library
|
2025-03-25 |
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theano
|
public |
Optimizing compiler for evaluating mathematical expressions on CPUs and GPUs.
|
2025-03-25 |
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sphinxcontrib-autodoc_doxygen
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public |
Doxygen / Sphinx bridge, with autodoc and autosummary
|
2025-03-25 |
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sphinxcontrib-lunrsearch
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public |
Instant search for Sphinx
|
2025-03-25 |
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cpptraj
|
public |
Biomolecular simulation trajectory/data analysis.
|
2025-03-25 |
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arpack
|
public |
ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
|
2025-03-25 |
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torsionfit-dev
|
public |
A toolkit for Bayesian torsion parameterization for molecular mechanics forcefields.
|
2025-03-25 |
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ccache
|
public |
ccache is a compiler cache. It speeds up recompilation by caching previous compilations and detecting when the same compilation is being done again.
|
2025-03-25 |
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progressbar
|
public |
No Summary
|
2025-03-25 |
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autograd
|
public |
Efficiently computes derivatives of numpy code.
|
2025-03-25 |
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hmmlearn
|
public |
Hidden Markov Models in Python with scikit-learn like API
|
2025-03-25 |
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ipynbtest
|
public |
No Summary
|
2025-03-25 |
