A library for parsing and interpreting the results of computational chemistry packages.

cclib alternatives and similar packages

Based on the "Science and Data Analysis" category

• Pandas

  9.8 10.0 L2 cclib VS Pandas

  A library providing high-performance, easy-to-use data structures and data analysis tools.

• NumPy

  9.6 9.8 L1 cclib VS NumPy

  A fundamental package for scientific computing with Python.

• SciPy

  9.4 9.8 L2 cclib VS SciPy

  A Python-based ecosystem of open-source software for mathematics, science, and engineering.

• SymPy

  9.4 10.0 L2 cclib VS SymPy

  A Python library for symbolic mathematics.

• NetworkX

  9.2 8.6 L3 cclib VS NetworkX

  A high-productivity software for complex networks.

• statsmodels

  9.0 9.6 L3 cclib VS statsmodels

  Statistical modeling and econometrics in Python.

• PyMC

  8.7 9.2 L4 cclib VS PyMC

  Markov Chain Monte Carlo sampling toolkit.

• Numba

  8.6 9.9 L3 cclib VS Numba

  Python JIT (just in time) compiler to LLVM aimed at scientific Python by the developers of Cython and NumPy.

• Dask

  8.5 9.5 L2 cclib VS Dask

  Versatile parallel programming with task scheduling

• astropy

  8.0 9.8 L2 cclib VS astropy

  A community Python library for Astronomy.

• blaze

  7.9 1.7 L4 cclib VS blaze

  NumPy and Pandas interface to Big Data.

• Biopython

  7.8 9.6 L2 cclib VS Biopython

  Biopython is a set of freely available tools for biological computation.

• orange

  7.4 9.7 L2 cclib VS orange

  Data mining, data visualization, analysis and machine learning through visual programming or Python scripting.

• Interactive Parallel Computing with IPython

  7.2 4.6 L3 cclib VS Interactive Parallel Computing with IPython

  Interactive Parallel Computing in Python

• Cubes

  6.1 3.4 L3 cclib VS Cubes

  Light-weight Python OLAP framework for multi-dimensional data analysis

• Open Mining

  5.9 0.0 L3 cclib VS Open Mining

  Business Intelligence (BI) in Python (Pandas web interface)

• RDKit

  5.9 9.1 L1 cclib VS RDKit

  Cheminformatics and Machine Learning Software.

• bcbio-nextgen

  5.5 9.2 L3 cclib VS bcbio-nextgen

  A toolkit providing best-practice pipelines for fully automated high throughput sequencing analysis.

• NIPY

  5.1 9.2 L3 cclib VS NIPY

  A collection of neuroimaging toolkits.

• bcolz

  4.7 4.0 cclib VS bcolz

  A columnar data container that can be compressed.

• bccb

  4.7 3.0 L4 cclib VS bccb

  Collection of useful code related to biological analysis.

• Neupy

  4.5 3.8 L5 cclib VS Neupy

  Running and testing different Artificial Neural Networks algorithms.

• Bubbles

  3.6 0.0 L5 cclib VS Bubbles

  A Python ETL framework

• PyDy

  2.9 6.0 L3 cclib VS PyDy

  Short for Python Dynamics, used to assist with workflow in the modeling of dynamic motion based around NumPy, SciPy, IPython, and matplotlib.

• harold

  1.7 7.8 L2 cclib VS harold

  An MIT licensed systems and controls toolbox for Python.

• signac

  1.0 8.5 cclib VS signac

  Manage large and heterogeneous data spaces on the file system.

• ElasticBatch

  0.8 7.6 cclib VS ElasticBatch

  Easy Elasticsearch inserts for data processing workflows

• dask-memusage

  0.5 3.2 cclib VS dask-memusage

  A low-impact profiler to figure out how much memory each task in Dask is using

• Open Babel

  - - cclib VS Open Babel

  A chemical toolbox designed to speak the many languages of chemical data.

* Code Quality Rankings and insights are calculated and provided by Lumnify.
They vary from L1 to L5 with "L5" being the highest. Visit our partner's website for more details.

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Popular Comparisons

• cclib
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• cclib
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• cclib
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• cclib
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