|
progress_reporter
|
public |
No Summary
|
2025-03-25 |
|
openpathsampling
|
public |
OpenPathSampling: A python package to do path sampling simulations
|
2025-03-25 |
|
graphviz
|
public |
Graph Visualization Software
|
2025-03-25 |
|
lomap
|
public |
Alchemical free-energy calculations planner
|
2025-03-25 |
|
msmb_data
|
public |
Testing data for MSMBuilder
|
2025-03-25 |
|
fahmunge
|
public |
No Summary
|
2025-03-25 |
|
fahmunge-dev
|
public |
No Summary
|
2025-03-25 |
|
pygraphviz
|
public |
Python interface to Graphviz
|
2025-03-25 |
|
openmm-example-plugin
|
public |
An example plugin for openmm
|
2025-03-25 |
|
funcsigs
|
public |
Python function signatures from PEP362 for Python 2.6, 2.7 and 3.2+
|
2025-03-25 |
|
meld-plugin
|
public |
No Summary
|
2025-03-25 |
|
eigen3
|
None |
C++ template library for linear algebra
|
2025-03-25 |
|
hdf5-1814
|
None |
HDF5 pinned at 1.8.14, for use with Modeller
|
2025-03-25 |
|
autoprotocol
|
public |
Python library for generating Autoprotocol
|
2025-03-25 |
|
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 |
|
osprey
|
public |
|Build Status| |PyPi version| |Supported Python versions| |License|\n|Documentation Status|
|
2025-03-25 |
|
gpy
|
public |
No Summary
|
2025-03-25 |
|
paramz
|
public |
The Parameterization Framework
|
2025-03-25 |
|
openmm-beta
|
public |
A high performance toolkit for molecular simulation.
|
2025-03-25 |
|
nglview
|
public |
IPython widget to interactively view molecular structures and trajectories.
|
2025-03-25 |
|
simpletraj
|
public |
Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD.
|
2025-03-25 |
|
deepchem
|
public |
Deep-learning models for Drug Discovery and Quantum Chemistry
|
2025-03-25 |
|
keras
|
public |
Theano-based Deep Learning library
|
2025-03-25 |
|
theano
|
public |
Optimizing compiler for evaluating mathematical expressions on CPUs and GPUs.
|
2025-03-25 |
|
sphinxcontrib-autodoc_doxygen
|
public |
Doxygen / Sphinx bridge, with autodoc and autosummary
|
2025-03-25 |
