Stars
Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals and analysing crystal databases using machine-learning.
Non-Linear Least Squares Minimization, with flexible Parameter settings, based on scipy.optimize, and with many additional classes and methods for curve fitting.
Turns the button on the Lamy Pen EMR into an eraser on the reMarkable.
Maple Mono: Open source monospace font with round corner, ligatures and Nerd-Font icons for IDE and terminal, fine-grained customization options. 带连字和控制台图标的圆角等宽字体，中英文宽度完美2:1，细粒度的自定义选项
A versatile and interactive package for solving crystal structures from powder diffraction data
Replace org-table characters with box-drawing unicode glyphs.
Turn (almost) any Python command line program into a full GUI application with one line
Python package built around protein structure and dynamics. OpenBabel-inspired objects.
An extensive math library for JavaScript and Node.js
📈 A small, fast chart for time series, lines, areas, ohlc & bars
The core software distribution for the Inform 7 programming language.
Create phonon spectrum for disordered materials.
CASTEPconv, a tool to automate convergence calculations with CASTEP
Python module for drawing and rendering beautiful atoms and molecules using Blender.
A widget to visualize and edit atomic structures in Jupyter Notebook
WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
Set of python scripts for the correction of DSC data.
Poltype 2: Automated Parameterization for AMOEBA
VADER Sentiment Analysis. VADER (Valence Aware Dictionary and sEntiment Reasoner) is a lexicon and rule-based sentiment analysis tool that is specifically attuned to sentiments expressed in social …
Differentiable, Hardware Accelerated, Molecular Dynamics