Comp-science-engineering / Tutorials

Related projects ⓘ

Alternatives and complementary repositories for Tutorials

• gitesei / willard-chandler
  Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …
  ☆11Updated 5 years ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆25Updated 7 months ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆32Updated 2 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆10Updated 4 years ago
• hsidky / ann_sampling
  Learning free energy landscapes using artificial neural networks
  ☆13Updated 6 years ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆33Updated 2 years ago
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated 3 months ago
• joaander / hoomd-examples
  ☆15Updated last year
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆22Updated 11 months ago
• emmanueladeniyi / Machine-Learning-for-Materials-Science-Projects
  Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…
  ☆14Updated 3 years ago
• opencdft / cdftpy
  ☆13Updated 2 years ago
• ydsumith / Molecular-Dynamics
  ☆12Updated 6 months ago
• WardLT / applied-ai-for-materials
  Course materials for "Applied AI for Materials Science and Engineering"
  ☆59Updated 2 years ago
• tylerjereddy / diffusion_analysis_MD_simulations
  Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.
  ☆16Updated 2 years ago
• ncrump / StatisticalMechanics
  Metropolis Monte Carlo particle simulations for statistical mechanics in Python and Cython. Simulates Lennard-Jones particles using a Mar…
  ☆11Updated 9 years ago
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 14 years ago
• ElsevierSoftwareX / SOFTX-D-16-00070
  python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…
  ☆13Updated 8 years ago
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆14Updated 7 years ago
• MaterialEyes / Plot2Spec
  an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)
  ☆30Updated 2 years ago
• andreasfuhr / sciplot
  Format Matplotlib scientific plots
  ☆15Updated 2 years ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆38Updated 3 years ago
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆17Updated last year
• JeroenMulkers / lammps_graphene
  Lammps tutorial: graphene simulations
  ☆27Updated 4 years ago
• jaapkroe / polypy
  polygon (ring network) discovery from XYZ files
  ☆10Updated 8 years ago
• atzberg / mango-selm
  Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…
  ☆10Updated last year
• cstein / neb
  Nudged-Elastic Band implementation in python
  ☆23Updated 7 years ago
• glotzerlab / freud-examples
  Examples for the freud library.
  ☆14Updated last month
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆11Updated 2 years ago
• LiQianxiao / CloudPoint-MachineLearning
  ☆12Updated 5 years ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆24Updated 3 years ago