potential

There are 1 repository under potential topic.

• psipred / cgdms

  Differentiable molecular simulation of proteins with a coarse-grained potential

  proteinpotentialforce-fieldcoarse-grainedautomatic-differentiation
  Language:Python 52

• riatelab / SpatialPosition

  R package for computing spatial position models

  accessibilitycranpotentialrr-packagespatial-analysisstewart-potentials
  Language:R 31

• Asif-Iqbal-Bhatti / Madelung-potential

  calculate madelung potential from VASP CONTCAR file

  madelung-constantpotentialdftvaspvasp-calculationsmadelung-potential
  Language:Python 7

• sparshgarg23 / RoboticsMotionPlanning

  Includes implementation of PRM,RRT and Potential Field Planner(Self implementaiton)

  roadmapplanningalgorithmspotentialfieldplannerprobabilisticmotionplannersrrt-star
  Language:MATLAB 6

• Tony-Y / PotFit

  A PyTorch Example of Potential Fitting

  pytorchpotentialfittingneural-network
  Language:Python 6

• larzw / Bonn-Potential

  One-Boson-Exchange Potential and Nucleon-Nucleon Scattering

  bonnpotentialnuclearphysics
  Language:Fortran 5

• christianrickert / ParamAP

  Standardized parameterization of sinoatrial node myocyte action potentials

  pythonnumpyscipymatplotlibparameterizationsinoatrialmyocyteaction-potentialapdiastolicdurationpotentialupstrokerecoverytransientcycleinterval
  Language:Python 4

• HPQC-LABS / potfit

  Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data

  chemistrycomputational-chemistrycomputational-physicscurve-fittingdiatomic-moleculesenergyfittingleast-square-regressionleast-squaresmachine-learningmathematical-modellingphysicspotentialquantumquantum-chemistryquantum-computingquantum-mechanicsspectroscopystatistical-analysisstatistics
  Language:Roff 4

• BryanDedeur / ocean-ai-sim

  A oceanic physics simulation demonstrating graph and artificial potential field based path planners.

  unityaiastarastar-algorithmpotentialpotential-fieldsship
  Language:C# 3

• aslozada / melquiades

  Monte Carlo program for simulation of multicomponent systems using arbitrary potential models

  monte-carlophysicochemicallennard-jones-potentialsimulationyukawapotentialtheoretical-chemistry
  Language:Fortran 2

• vtlim / plot_potential

  Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.

  forcefieldpotentialharmoniccosinemorselennard-jonescoulomb-interactionsvdwmatplotlibmolecular-dynamicsmolecular-simulationmolecular-modelingenergy-functionscomputational-chemistrypresentation-materials
  Language:Python 2
• potprox

  Amphiluke / potprox

  Approximation of computed data with empirical pair potentials

  potentialapproximationmorselennard-jonesrydbergbuckingham
  Language:JavaScript 1

• HPQC-LABS / betaFit

  computational-chemistrycomputational-physicscurve-fittingdiatomic-moleculesenergyfittingforcefieldforcefield-parameterizationleast-square-regressionleast-squaresmachine-learningmathematicsmolecular-dynamicspotentialquantumquantum-chemistryquantum-mechanicsspectroscopystatistical-analysisstatistics
  Language:Roff 1

• lmmentel / vconstr

  A suite of programs for reconstructing the exact Kohn-Sham potentials based on accurate densities.

  chemistryquantum-chemistryquantum-physicsdftdensity-functional-theorydensitykohn-shampotential
  Language:Fortran 1

• stefanhoedl / JAT_potential

  Master thesis: JAT (Jraph Attention Networks), a deep learning architecture to predict the potential energy and forces of molecules. Adapts Graph Attention Networks (GATv2) within the Message Passing Neural Networks framework to computational chemistry in JAX

  attentioncomputational-chemistrydeep-learninggraph-attention-networksjaxmessage-passing-neural-networkmolecular-dynamicsmoleculespotential
  Language:Python 1

• dimasjackson / Resurgent-Transeries

  This repository contains some Mathematica notebooks for the calculation of the resurgent transeries of the quantum mechanical quartic double-well potential.

  mathematicamathematical-physicsphysicspotentialquantumquantum-physicsquarticresurgencetranseries
  Language:Mathematica 0

• Divya-Samudra / EMF--Electric-Field-due-to-Like-Charges

  Program to vizualize electric potential, its gradient (electric field) and equipotential contours due to two equal charges

  electric-fieldelectrostaticspotentialequipotential-contour
  Language:MATLAB 0

• Divya-Samudra / EMF-Electric-Field-due-to-Unlike-Charges

  Program to vizualize electric potential, its gradient (electric field), and equipotential contours due to two opposite charges

  electric-fieldelectrostaticspotentialequipotential-surface
  Language:MATLAB

• geowy / potential-potato

  Blah blah blah

  potatoespotential

• jtsun / ModeMap

  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.

  potentialsurfacescan
  Language:Fortran

• kosalnith / PublicBanks

  Government Ownership of Banks is a research project supported by the Young Research Fellow Program of Future Forum. This study focuses on potential agricultural products and factors that public banks should subsidize.

  bankingagriculture-researchsubsidiespotential
  Language:MATLAB