Alternatives and similar repositories for kernel-tutorials

Users that are interested in kernel-tutorials are comparing it to the libraries listed below

• BlauGroup / HiPRGen
  ☆25Updated 7 months ago
• muhrin / milad
  Moment Invariants Local Atomic Descriptor
  ☆32Updated 9 months ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆18Updated 7 months ago
• lcmd-epfl / cell2mol
  ☆26Updated last week
• WilmerLab / mofun
  ☆22Updated 2 years ago
• EmilSkaaning / DeepStruc
  DeepStruc is a Conditional Variational Autoencoder which can predict the mono-metallic nanoparticle from a Pair Distribution Function.
  ☆25Updated last year
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• cersonsky-lab / unsupervised-ml
  This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"
  ☆14Updated 10 months ago
• zincware / rdkit2ase
  Create atomistic structures with ASE, rdkit and packmol
  ☆12Updated this week
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated last month
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆47Updated last week
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 8 months ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆27Updated last year
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆44Updated 5 months ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆28Updated 9 months ago
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆29Updated 9 months ago
• GOMC-WSU / MoSDeF-GOMC
  MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC
  ☆16Updated 3 months ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆29Updated 6 months ago
• lab-cosmo / atomistic-cookbook
  A collection of simulation recipes for the atomic-scale modeling of materials and molecules
  ☆23Updated this week
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆52Updated 3 weeks ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆42Updated 8 months ago
• kevinshen56714 / emc-pypi
  Python interface for Enhanced Monte Carlo (EMC)
  ☆19Updated 2 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆51Updated 2 years ago
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆54Updated last week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆44Updated 3 weeks ago
• z-gong / openmm-velocityVerlet
  OpenMM plugin for simulating electrochemical systems
  ☆19Updated 8 months ago
• atomistic-machine-learning / field_schnet
  ☆19Updated 3 years ago
• VHchavez / moly
  Molecular Visualization powered by Plotly
  ☆17Updated 2 years ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated 3 weeks ago
• ferchault / APDFT
  APDFT calculates quantumchemical results for many molecules at once.
  ☆14Updated last year