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RMG / packages

Package Name Access Summary Updated
diffeqpy public python interface to julia DifferentialEquations 2025-03-25
pyjulia public python interface to julia 2025-03-25
julia public julia from julialang 2025-03-25
pyrms public python interface to ReactionMechanismSimulator 2025-03-25
brotlipy public Python bindings to the Brotli compression library 2025-03-25
ca-certificates public Certificates for use with other packages. 2025-03-25
certifi public Python package for providing Mozilla's CA Bundle. 2025-03-25
chardet public Universal character encoding detector 2025-03-25
codecov public Hosted coverage reports for Github, Bitbucket and Gitlab 2025-03-25
cryptography public Provides cryptographic recipes and primitives to Python developers 2025-03-25
idna public Internationalized Domain Names in Applications (IDNA). 2025-03-25
libgfortran public Fortran compiler and libraries from the GNU Compiler Collection 2025-03-25
openssl public OpenSSL is an open-source implementation of the SSL and TLS protocols 2025-03-25
pyopenssl public Python wrapper module around the OpenSSL library 2025-03-25
pysocks public A Python SOCKS client module. See https://github.com/Anorov/PySocks for more information. 2025-03-25
requests public Requests is an elegant and simple HTTP library for Python, built with ♥. 2025-03-25
urllib3 public HTTP library with thread-safe connection pooling, file post, and more. 2025-03-25
tensorboardx public tensorboard for pytorch 2025-03-25
python_abi public Metapackage to select python implementation 2025-03-25
periodictable public Extensible periodic table for python 2025-03-25
nlopt public nonlinear optimization library 2025-03-25
nanoflann public A C++ header-only library for Nearest Neighbor (NN) search wih KD-trees 2025-03-25
lapack public Linear Algebra PACKage 2025-03-25
hyperopt public Distributed Asynchronous Hyper-parameter Optimization 2025-03-25
pytorch-cpu public PyTorch is an optimized tensor library for deep learning using GPUs and CPUs. 2025-03-25
torchvision-cpu public image and video datasets and models for torch deep learning 2025-03-25
zmats public A Z-matrix module written in Python 2025-03-25
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. 2025-03-25
ase public ASE is a python package providing an open source Atomic Simulation Environment in the Python language. 2025-03-25
algopy public ALGOPY: Taylor Arithmetic Computation and Algorithmic Differentiation 2025-03-25
numdifftools public Solves automatic numerical differentiation problems in one or more variables. 2025-03-25
h5py public Read and write HDF5 files from Python. 2025-03-25
descriptastorus public Descriptor computation(chemistry) and (optional) storage for machine learning 2025-03-25
chemprop public Molecular Property Prediction with Message Passing Neural Networks 2025-03-25
glpk public GNU Linear Programming Kit 2025-03-25
coincbc public Cbc (Coin-or branch and cut) is an open-source mixed integer programming solver written in C++. 2025-03-25
pyomo public Pyomo: Python Optimization Modeling Objects 2025-03-25
textgenrnn public A text-generating neural network 2025-03-25
dde public A data driven estimator for molecular thermochemistry and kinetics 2025-03-25
py3dmol public A simple IPython/Jupyter widget to embed an interactive 3Dmol.js viewer in a notebook. 2025-03-25
cclib public cclib: parsers and algorithms for computational chemistry 2025-03-25
tensorflow public No Summary 2025-03-25
theano public No Summary 2025-03-25
keras public No Summary 2025-03-25
pyrdl public RingDecomposerLib for calculation of Unique Ring Families (URFs) and other cycle bases (Relevant Cycles (RC), Smallest Set of Smallest Rings (SSSR)). 2025-03-25
lpsolve55 public Python interface to lpsolve 2025-03-25
lpsolve public lp_solve is a Mixed Integer Linear Programming (MILP) solver. 2025-03-25
sip public No Summary 2025-03-25
muq public No Summary 2025-03-25
sundials public No Summary 2025-03-25

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