|
smarty
|
public |
No Summary
|
2023-06-16 |
|
progress-reporter
|
public |
No Summary
|
2023-06-16 |
|
progress_reporter
|
public |
No Summary
|
2023-06-16 |
|
fahmunge
|
public |
No Summary
|
2023-06-16 |
|
graphviz
|
public |
Graph Visualization Software
|
2023-06-16 |
|
lomap
|
public |
Alchemical free-energy calculations planner
|
2023-06-16 |
|
msmb_data
|
public |
Testing data for MSMBuilder
|
2023-06-16 |
|
fahmunge-dev
|
public |
No Summary
|
2023-06-16 |
|
pygraphviz
|
public |
Python interface to Graphviz
|
2023-06-16 |
|
funcsigs
|
public |
Python function signatures from PEP362 for Python 2.6, 2.7 and 3.2+
|
2023-06-16 |
|
openmm-example-plugin
|
public |
An example plugin for openmm
|
2023-06-16 |
|
meld-plugin
|
public |
No Summary
|
2023-06-16 |
|
hdf5-1814
|
None |
HDF5 pinned at 1.8.14, for use with Modeller
|
2023-06-16 |
|
autoprotocol
|
public |
Python library for generating Autoprotocol
|
2023-06-16 |
|
openmm-dev
|
public |
A high performance toolkit for molecular simulation.
|
2023-06-16 |
|
gpy
|
public |
No Summary
|
2023-06-16 |
|
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.
|
2023-06-16 |
|
osprey
|
public |
|Build Status| |PyPi version| |Supported Python versions| |License|\n|Documentation Status|
|
2023-06-16 |
|
paramz
|
public |
The Parameterization Framework
|
2023-06-16 |
|
nglview
|
public |
IPython widget to interactively view molecular structures and trajectories.
|
2023-06-16 |
|
openmm-beta
|
public |
A high performance toolkit for molecular simulation.
|
2023-06-16 |
|
simpletraj
|
public |
Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD.
|
2023-06-16 |
|
keras
|
public |
Theano-based Deep Learning library
|
2023-06-16 |
|
deepchem
|
public |
Deep-learning models for Drug Discovery and Quantum Chemistry
|
2023-06-16 |
|
theano
|
public |
Optimizing compiler for evaluating mathematical expressions on CPUs and GPUs.
|
2023-06-16 |
|
cpptraj
|
public |
Biomolecular simulation trajectory/data analysis.
|
2023-06-16 |
|
sphinxcontrib-autodoc_doxygen
|
public |
Doxygen / Sphinx bridge, with autodoc and autosummary
|
2023-06-16 |
|
arpack
|
public |
ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
|
2023-06-16 |
|
msinttypes
|
public |
No Summary
|
2023-06-16 |
|
rdkit
|
public |
Open-Source Cheminformatics Software
|
2023-06-16 |
|
cvxcanon
|
public |
A low-level library to perform the matrix building step in cvxpy, a convex optimization modeling software.
|
2023-06-16 |
|
alchemy
|
public |
Alchemical tools for OpenMM
|
2023-06-16 |
|
repex
|
None |
OpenMM replica exchange utilities
|
2023-06-16 |
|
msmtools
|
None |
Tools for estimating and analyzing Markov state models
|
2023-06-16 |
|
eigen3
|
None |
C++ template library for linear algebra
|
2023-06-16 |
|
modeller
|
None |
Comparative modeling by satisfaction of spatial restraints
|
2023-06-16 |
|
pint
|
None |
Physical quantities module
|
2023-06-16 |
|
thermotools
|
public |
Lowlevel implementation toolbox for the analyis of multi-ensemble calculations
|
2023-06-16 |
|
openbabel
|
public |
A chemical toolbox designed to speak the many languages of chemical data
|
2023-06-16 |
|
torsionfit-dev
|
public |
A toolkit for Bayesian torsion parameterization for molecular mechanics forcefields.
|
2023-06-16 |
|
ipynbtest
|
public |
No Summary
|
2023-06-16 |
|
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.
|
2023-06-16 |
|
autograd
|
public |
Efficiently computes derivatives of numpy code.
|
2023-06-16 |
|
progressbar
|
public |
No Summary
|
2023-06-16 |
|
hmmlearn
|
public |
Hidden Markov Models in Python with scikit-learn like API
|
2023-06-16 |
|
nose-timer
|
public |
A timer plugin for nosetests
|
2023-06-16 |
|
doxygen
|
public |
Doxygen is the de facto standard tool for generating documentation from annotated C++ sources
|
2023-06-16 |
|
m4
|
public |
GNU M4 is an implementation of the traditional Unix macro processor.
|
2023-06-16 |
|
boost
|
None |
Boost provides free peer-reviewed portable C++ source libraries.
|
2023-06-16 |
|
flex
|
public |
Flex is a fast lexical analyser generator.
|
2023-06-16 |
