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Search results for jupyter notebook atom editor
atom-editor
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jupyter-notebook
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0 search results found
Hydrogen
⭐
3,886
:atom: Run code interactively, inspect data, and plot. All the power of Jupyter kernels, inside your favorite text editor.
Atom Notebook
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306
[Deprecated] Jupyter Notebook, but inside Atom.
Pycroscopy
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241
Scientific analysis of nanoscale materials imaging data
Stata_kernel
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209
A Jupyter kernel for Stata. Works with Windows, macOS, and Linux.
Juliacoursenotebooks
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147
Jupyter notebooks for the Julia Scientific Programming course on Coursera
Atom
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137
Automated Tool for Optimized Modelling
Dotfiles
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81
metakermit's ~/.*
Tightbinding.jl
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66
This can construct the tight-binding model and calculate energies
Xyz2graph
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58
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
Gdynet
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47
Unsupervised learning of atomic scale dynamics from molecular dynamics.
Ipynb Py Convert
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45
Convert .py files runnable in VSCode or Atom/Hydrogen to Jupyter .ipynb notebooks and vice versa
Pandoctools
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44
Profile manager of text processing pipelines: Pandoc filters, any text CLI filters. Atom+Markdown+Pandoc+Jupyter workflow, export to ipynb. Uses Stitch fork: https://github.com/kiwi0fruit/knitty
Myworkflow.jl
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38
For those who want to try Julia
Knitty
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36
Jupyter power in plain Python/Julia/R/any-kernel-lang. Jupyter kernels output as Pandoc filter. Atom/Hydrogen friendly Markdown literature programming. Stitch/Knotr fork.
Retrosim
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27
Surfaxe
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25
Dealing with slabs for first principles calculations of surfaces
Geopyter
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22
GeoPyTeR: Geographical Python Teaching Resource
Environmentfinder
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18
Tool for finding atomic environments in crystal structures
Yaoplots.jl
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18
Yao.jl extension for plotting quantum circuit
Alphaspace2
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16
Protein surface topographical mapping tool
Hfsolver
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16
Hartree Fock solver
Tscl
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14
Contrastive Learning for Time Series
Mosdef_tutorials
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14
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
Dataviz_cadi
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14
Materials for the "Data Visualization" CADi workshop @ "Tecnológico de Monterrey"
Atom
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12
ATmospheric and Ocean Model
Cspred
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12
UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.
Jupyter Notebook Atom Scheme
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10
Dracon
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10
Protein Folding
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8
Protein structure prediction using optimization methods from the field of machine learning
Magres Format
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7
Code for parsing CCP-NC ab-initio magnetic resonance file format and processing ab-initio magnetic resonance parameters. Maintained by Tim Green (
[email protected]
).
Jupyter_upydevice_kernel
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7
Jupyter MicroPython Kernel made with upydevice
Python Snippets
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7
Useful Python snippets for data science and more
Ngsim Tools
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6
This repository collects a set of tools for extracting, visualizing, and simulating Next Generation Simulation (NGSIM) dataset. The tools are originally developed by Stanford Intelligent Systems Laboratory.
Cell Navigation
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6
cell-navigation plugin for Atom text editor, companion of Hydrogen / Jupytext
Off Ffcompare
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6
Compare molecular structures after energy minimization in various force fields.
Qiskit Pyconde
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6
Comet Pytorch
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5
COMET(Chemically Omnipotent Molecular Encoder from Transformer). Pre-trained GCN molecular encoder with atom-masking pre-training tasks
Complexnetworks2019
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5
ComplexNetworks2019
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