singroup Goto Github PK
Name: Surfaces and Interfaces at the Nanoscale
Type: Organization
Location: Helsinki, Finland
Name: Surfaces and Interfaces at the Nanoscale
Type: Organization
Location: Helsinki, Finland
Automated Structure Discovery in Atomic Force Microscopy
Automated Structure Discovery for Scanning Tunneling Microscopy
Atomic Structure Handler - a flexible java tool for building, manipulating and visualising atomic systems.
Autonomous atom manipulation - in this project, we use deep reinforcement learning algorithms including soft actor-critic, hindsight experience replay, and emphasize recent experience replay to automatize atom manipulation in the Createc scanning tunneling microscope system.
Automatic evaluator of the CO-functionalized tips in Atomic Force Microscopy
Simple script that takes charges from a Bader analysis and converts them to effective charges based on the valence electrons in the pseudopotential.
Scripts for analyzing output from a CP2K DFT calculation.
This Python package is intended to help running multiple CP2k calculations for the same system or multiple similar systems.
Workflow manager for DFT simulations on nanocluster databases using Fireworks
Tools to ease density generation and predictions from MD runs
Contains tools for post processing and visualizing grid based data from DFT calculations (charge density, electric potential) using Python.
Contains Python modules for efficient reading and writing of file formats containing values on a grid of points used by DFT codes.
DScribe is a python package for creating machine learning descriptors for atomistic systems.
Electrostatic Discovery Atomic Force Microscopy
Machine learning molecule graphs from atomic force microscopy images.
This Python package is intended to help running finite element method (FEM) calculations related to modeling the macroscopic part of the KPFM probe and storing the results.
A set of Python modules for running DFT level KPFM simulations using CP2k and storing the results to a relational database (SQLite).
Bottom-up topology maker for LAMMPS
This repository is for testing macOS related issues with TravisCI.
MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.
Mechanical AFM (implementation based on Hapala et al., Phys. Rev. B, 90:085421, 2014)
Machine learning for scanning probe microscopy
GUI for designing molecular circuits.
Mutual Information codes
A Python module for solving electrostatic potential of a distribution of point charges using periodic boundary conditions.
A workflow for double ProbeParticle method using OpenCL and complex_tip branch of ProbeParticle method
Python Cp2k interface
Modular package for atomistic simulations based on Python.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.