|
rmgdatabase
|
None |
Database for RMG: a program for automatically generating kinetic models of chemical reaction mechanisms.
|
2024-10-09 |
|
pydas
|
None |
A Python wrapper to several differential algebraic system solvers, namely DASSL and DASPK.
|
2024-07-01 |
|
pydqed
|
None |
Python wrapper to the DQED bounded constrained nonlinear optimization code.
|
2024-06-30 |
|
symmetry
|
None |
A program for calculating symmetry numbers of molecules
|
2024-06-28 |
|
pyrms
|
public |
python interface to ReactionMechanismSimulator
|
2023-06-18 |
|
diffeqpy
|
public |
python interface to julia DifferentialEquations
|
2023-06-16 |
|
pyjulia
|
public |
python interface to julia
|
2023-06-16 |
|
julia
|
public |
julia from julialang
|
2023-06-16 |
|
python_abi
|
public |
Metapackage to select python implementation
|
2023-06-16 |
|
zmats
|
public |
A Z-matrix module written in Python
|
2023-06-16 |
|
brotlipy
|
public |
Python bindings to the Brotli compression library
|
2023-06-16 |
|
tensorboardx
|
public |
tensorboard for pytorch
|
2023-06-16 |
|
hyperopt
|
public |
Distributed Asynchronous Hyper-parameter Optimization
|
2023-06-16 |
|
pytorch-cpu
|
public |
PyTorch is an optimized tensor library for deep learning using GPUs and CPUs.
|
2023-06-16 |
|
torchvision-cpu
|
public |
image and video datasets and models for torch deep learning
|
2023-06-16 |
|
muq2
|
public |
MIT Uncertainty Quantification Library (MUQ) is a collection of tools for constructing models and a collection of uncertainty quantification (UQ)–focused algorithms for working on those models.
|
2023-06-16 |
|
descriptastorus
|
public |
Descriptor computation(chemistry) and (optional) storage for machine learning
|
2023-06-16 |
|
chemprop
|
public |
Molecular Property Prediction with Message Passing Neural Networks
|
2023-06-16 |
|
glpk
|
public |
GNU Linear Programming Kit
|
2023-06-16 |
|
textgenrnn
|
public |
A text-generating neural network
|
2023-06-16 |
|
dde
|
public |
A data driven estimator for molecular thermochemistry and kinetics
|
2023-06-16 |
|
cclib
|
public |
cclib: parsers and algorithms for computational chemistry
|
2023-06-16 |
|
py3dmol
|
public |
A simple IPython/Jupyter widget to embed an interactive 3Dmol.js viewer in a notebook.
|
2023-06-16 |
|
tensorflow
|
public |
No Summary
|
2023-06-16 |
|
ca-certificates
|
public |
Certificates for use with other packages.
|
2023-06-16 |
|
certifi
|
public |
Python package for providing Mozilla's CA Bundle.
|
2023-06-16 |
|
chardet
|
public |
Universal character encoding detector
|
2023-06-16 |
|
codecov
|
public |
Hosted coverage reports for Github, Bitbucket and Gitlab
|
2023-06-16 |
|
cryptography
|
public |
Provides cryptographic recipes and primitives to Python developers
|
2023-06-16 |
|
idna
|
public |
Internationalized Domain Names in Applications (IDNA).
|
2023-06-16 |
|
libgfortran
|
public |
Fortran compiler and libraries from the GNU Compiler Collection
|
2023-06-16 |
|
openssl
|
public |
OpenSSL is an open-source implementation of the SSL and TLS protocols
|
2023-06-16 |
|
pyopenssl
|
public |
Python wrapper module around the OpenSSL library
|
2023-06-16 |
|
pysocks
|
public |
A Python SOCKS client module. See https://github.com/Anorov/PySocks for more information.
|
2023-06-16 |
|
requests
|
public |
Requests is an elegant and simple HTTP library for Python, built with ♥.
|
2023-06-16 |
|
urllib3
|
public |
HTTP library with thread-safe connection pooling, file post, and more.
|
2023-06-16 |
|
periodictable
|
public |
Extensible periodic table for python
|
2023-06-16 |
|
nlopt
|
public |
nonlinear optimization library
|
2023-06-16 |
|
nanoflann
|
public |
A C++ header-only library for Nearest Neighbor (NN) search wih KD-trees
|
2023-06-16 |
|
lapack
|
public |
Linear Algebra PACKage
|
2023-06-16 |
|
ase
|
public |
ASE is a python package providing an open source Atomic Simulation Environment in the Python language.
|
2023-06-16 |
|
numdifftools
|
public |
Solves automatic numerical differentiation problems in one or more variables.
|
2023-06-16 |
|
algopy
|
public |
ALGOPY: Taylor Arithmetic Computation and Algorithmic Differentiation
|
2023-06-16 |
|
coincbc
|
public |
Cbc (Coin-or branch and cut) is an open-source mixed integer programming solver written in C++.
|
2023-06-16 |
|
pyomo
|
public |
Pyomo: Python Optimization Modeling Objects
|
2023-06-16 |
|
theano
|
public |
No Summary
|
2023-06-16 |
|
keras
|
public |
No Summary
|
2023-06-16 |
|
pyrdl
|
public |
RingDecomposerLib for calculation of Unique Ring Families (URFs) and other cycle bases (Relevant Cycles (RC), Smallest Set of Smallest Rings (SSSR)).
|
2023-06-16 |
|
lpsolve
|
public |
lp_solve is a Mixed Integer Linear Programming (MILP) solver.
|
2023-06-16 |
|
lpsolve55
|
public |
Python interface to lpsolve
|
2023-06-16 |
