Alternatives and similar repositories for data_science_course

Users that are interested in data_science_course are comparing it to the libraries listed below

• ekwan / PyQuiver
  kinetic isotope effect prediction with Gaussian
  ☆17Updated 2 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆12Updated 5 years ago
• lmmentel / chemtools
  Python tools for quantum chemical calculations
  ☆21Updated 2 years ago
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆15Updated 2 years ago
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆20Updated last year
• salinisenthil / ConnGO
  Workflow for CONNectivity preserving Geometry Optimization
  ☆11Updated 4 years ago
• rkurchin / Kurchin_CV
  LaTeX/Python code for maintaining my CV; integrates with website code (see rkurchin.github.io repo)
  ☆15Updated 3 years ago
• jkitchin / f19-06623
  Course repository for 06-623
  ☆13Updated 5 years ago
• askeys / tutorials
  Computational Statistical Mechanics Tutorials
  ☆15Updated 13 years ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆45Updated 3 weeks ago
• theochem / denspart
  Atoms-in-molecules density partitioning schemes based on stockholder recipe
  ☆23Updated 2 weeks ago
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆24Updated 5 years ago
• t-young31 / gap-train
  Gaussian Approximation Potential Training
  ☆17Updated 4 years ago
• DoNOF / PyNOF
  ☆15Updated 2 months ago
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆15Updated last year
• CederGroupHub / sparse-lm
  Sparse Linear Regression Models
  ☆19Updated last week
• cstein / neb
  Nudged-Elastic Band implementation in python
  ☆25Updated 9 years ago
• usccolumbia / materialsUQ
  Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
  ☆17Updated last year
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆27Updated 2 years ago
• petervanya / DPDsim
  A dissipative particle dynamics (DPD) project.
  ☆13Updated 2 years ago
• ekwan / cctk
  Python-based library for working with computational chemistry files
  ☆21Updated 3 months ago
• henriasv / molecular-builder
  Builder for molecular systems
  ☆17Updated this week
• lcmd-epfl / Q-stack
  Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
  ☆17Updated last week
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆19Updated 4 years ago
• zincware / IPSuite
  Machine Learned Interatomic Potential Tools
  ☆24Updated 2 weeks ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆19Updated 4 months ago
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆27Updated 5 years ago
• mfherbst / julia-for-materials
  Material of the seminar "Julia for Materials Modelling"
  ☆30Updated 2 years ago
• mkmat / Z1plus-code
  Supplementary scripts for Z1+ users
  ☆16Updated last month