drewvecchio / StructuralGT
A python package for the automated graph theory analysis of structural network images
☆15Updated 5 months ago
Alternatives and similar repositories for StructuralGT:
Users that are interested in StructuralGT are comparing it to the libraries listed below
- Code for deep learning models to predict molecular electronic properties.☆16Updated last year
- Knee or elbow detection for curves☆22Updated 5 months ago
- RHEOS - Open Source Rheology data analysis software☆44Updated 5 months ago
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆31Updated 2 years ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated 6 months ago
- Python functions for orthogonal polynomials and (real, 2D, orthonormal) spherical harmonics☆9Updated last year
- Materials for ACerS Automated Experiment Course☆20Updated 9 months ago
- A package for plotting and manipulating 1D spectra☆11Updated 6 months ago
- polyGNN is a Python library to automate ML model training for polymer informatics.☆35Updated 2 weeks ago
- Sarkas Python MD suite for Dense Plasmas Physics☆15Updated 7 months ago
- A python code to calculate the Brownian motion of colloidal particles in a time varying force field.☆20Updated 3 months ago
- Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving mate…☆23Updated 3 years ago
- Python tools for quantum chemical calculations☆17Updated last year
- Shaded 😎 quantile plots☆12Updated 2 years ago
- Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python☆21Updated 3 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆12Updated last month
- A Python library of algorithms for the baseline correction of experimental data.☆124Updated this week
- Pyrough - a tool to build 3D samples with rough surfaces for atomistic and finite-element simulations☆18Updated 2 months ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆11Updated 5 years ago
- Slides + Source Code + Data for an introductory course to NumPy, Matplotlib, SciPy, Scikit-Learn & TensorFlow Keras☆22Updated 2 years ago
- A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).☆27Updated last year
- Interface package for featurizing atomic structures☆42Updated last year
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated last week
- Codes for translating structural defects to atomic properties☆13Updated 2 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated last week
- Tools for loading, processing, and plotting multidimensional spectroscopy data.☆18Updated this week
- Discrete dipole approximation implementation in python☆16Updated 9 years ago
- Electronegativity equilibration model for atomic partial charges☆15Updated last week
- Pythonによるフェーズフィールド法入門 -基礎理論からデータ同化の実装まで- （丸善出版株式会社）に掲載のサンプルプログラムです。☆19Updated last year