|
pysidt
|
public |
An automated workflow code to enable the calculation of thermochemistry and rate coefficients for reactions involving metallic surfaces.
|
2024-04-25 |
|
rmgmolecule
|
public |
A cheminformatics program for reaction generation
|
2024-04-24 |
|
sella
|
public |
A Python software package for saddle point optimization and minimization of atomic systems.
|
2024-02-29 |
|
lpsolve55
|
public |
Linear Program Solver, Python Interface to lpsolve
|
2024-02-28 |
|
pynta
|
public |
An automated workflow code to enable the calculation of thermochemistry and rate coefficients for reactions involving metallic surfaces.
|
2023-06-18 |
|
acat
|
public |
Alloy Catalysis Automated Toolkit
|
2023-06-18 |
|
pyrdl
|
public |
RingDecomposerLib for calculation of Unique Ring Families (URFs) and other cycle bases (Relevant Cycles (RC), Smallest Set of Smallest Rings (SSSR)).
|
2023-06-18 |
|
molecule
|
public |
A cheminformatics program for reaction generation
|
2023-06-18 |
|
rmg
|
public |
A program for automatically generating kinetic models of chemical reaction mechanisms.
|
2023-06-16 |
|
rmgdatabase
|
public |
Database for RMG: a program for automatically generating kinetic models of chemical reaction mechanisms.
|
2023-06-16 |
|
pyjulia
|
public |
python interface to julia
|
2023-06-16 |
|
julia
|
public |
julia from julialang
|
2023-06-16 |
|
pyrms
|
public |
python interface to ReactionMechanismSimulator
|
2023-06-16 |
|
diffeqpy
|
public |
python interface to julia DifferentialEquations
|
2023-06-16 |
|
python_abi
|
public |
Metapackage to select python implementation
|
2023-06-16 |
|
julia-lang
|
public |
A fix for the conda-forge julia version
|
2023-06-16 |
|
cclib
|
public |
Parsers and algorithms for computational chemistry logfiles
|
2023-06-16 |
|
torchvision-cpu
|
public |
image and video datasets and models for torch deep learning
|
2023-06-16 |
|
tensorboardx
|
public |
tensorboard for pytorch
|
2023-06-16 |
|
pytorch-cpu
|
public |
PyTorch is an optimized tensor library for deep learning using GPUs and CPUs.
|
2023-06-16 |
|
hyperopt
|
public |
Distributed Asynchronous Hyper-parameter Optimization
|
2023-06-16 |
|
brotlipy
|
public |
Python bindings to the Brotli compression library
|
2023-06-16 |
|
periodictable
|
public |
Extensible periodic table for python
|
2023-06-16 |
|
urllib3
|
public |
HTTP library with thread-safe connection pooling, file post, and more.
|
2023-06-16 |
|
requests
|
public |
Requests is an elegant and simple HTTP library for Python, built with ♥.
|
2023-06-16 |
|
pysocks
|
public |
A Python SOCKS client module. See https://github.com/Anorov/PySocks for more information.
|
2023-06-16 |
|
pyopenssl
|
public |
Python wrapper module around the OpenSSL library
|
2023-06-16 |
|
openssl
|
public |
OpenSSL is an open-source implementation of the SSL and TLS protocols
|
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 |
|
libgfortran
|
public |
Fortran compiler and libraries from the GNU Compiler Collection
|
2023-06-16 |
|
lapack
|
public |
Linear Algebra PACKage
|
2023-06-16 |
|
idna
|
public |
Internationalized Domain Names in Applications (IDNA).
|
2023-06-16 |
|
cryptography
|
public |
Provides cryptographic recipes and primitives to Python developers
|
2023-06-16 |
|
codecov
|
public |
Hosted coverage reports for Github, Bitbucket and Gitlab
|
2023-06-16 |
|
chardet
|
public |
Universal character encoding detector
|
2023-06-16 |
|
certifi
|
public |
Python package for providing Mozilla's CA Bundle.
|
2023-06-16 |
|
cantera
|
public |
Chemical kinetics, thermodynamics, and transport tool suite
|
2023-06-16 |
|
ca-certificates
|
public |
Certificates for use with other packages.
|
2023-06-16 |
|
h5py
|
public |
Read and write HDF5 files from Python.
|
2023-06-16 |
|
rdkit
|
None |
No Summary
|
2023-06-16 |
