tsitsvero Goto Github PK
Type: User
Location: Sapporo, Japan
Type: User
Location: Sapporo, Japan
Tracking citations of atomistic simulation engines
Call python from fortran
Jekyll Theme
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
DScribe is a python package for creating machine learning descriptors for atomistic systems.
Forpy - use Python from Fortran
A highly efficient and modular implementation of Gaussian Processes in PyTorch
PyTorch-based library for Riemannian Manifold Hamiltonian Monte Carlo (RMHMC) and inference in Bayesian neural networks
Hodge/Bochner Laplacians of simplicial complexes, their spectra, higher-order diffusion and random walks
A scalable and versatile library to generate representations for atomic-scale learning
code for single-ended and double-ended molecular GSM
Python bindings for MPI
Python files with plot settings
Thermal and photochemical reaction path optimization and discovery
an interface to semi-empirical quantum chemistry methods implemented with pytorch
Geometric Deep Learning Extension Library for PyTorch
A conda-smithy repository for qe.
A simple, in-browser, markdown-driven slideshow tool.
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
Modeling of rotatory motions in molecular crystals
Run an X application scaled via xpra. Useful on hidpi screens.
GP-aided saddle-point molecular dynamics
SHTOOLS - Spherical Harmonic Tools
The Book of Statistical Proofs
Light-weight tight-binding framework
Config files for my GitHub profile.
Implementation for the paper 'Momentum Stiefel Optimizer, with Applications to Suitably-Orthogonal Attention, and Optimal Transport' (ICLR 2023)
Ready to use docker images for Gitpod workspaces
Semiempirical Extended Tight-Binding Program Package
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.