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A high-performance, pure Rust library for full-atom protein side-chain packing using the DREIDING force field, Goldstein+Split DEE, and tree-decomposition DP—with native protein–ligand and protein–…
Official website of the Materials and Process Simulation Center @ Caltech. Powered by the modern web stack.
A high-performance, no-std Rust library providing the pure mathematical primitives for the DREIDING force field. It implements stateless, scalar energy and derivative kernels for all bond, angle, t…
A lightweight, no-std, pure Rust mathematical kernel for the exact evaluation of two-center Coulomb integrals over ns Slater-type orbitals. Features a zero-allocation, physics-agnostic implementati…
A high-performance, pure Rust library for automated DREIDING force field parameterization. It orchestrates structure repair, topology perception, and partial atomic charge calculation to produce si…
A high-performance, pure Rust library for perceiving molecular resonance systems, including rings, aromaticity, and conjugation paths in organic molecules from 2D graphs.
☁️ A fast & light & lovely theme for Hexo. 一个对可爱自以为是的 Hexo 主题。
A high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and unifi…
A high-performance, pure Rust library for calculating dynamic partial atomic charges using the Charge Equilibration (QEq) method, applicable to any molecular system.
Public development project of the LAMMPS MD software package
A high-performance, pure Rust library for assigning DREIDING atom types and perceiving molecular topologies, including bonds, angles, and a critical distinction between proper and improper dihedrals.
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
SCREAM++ is an enhanced software package for automated protein side-chain placement. It predicts accurate side-chain conformations using rotamer libraries and a flat-bottom potential strategy, now …
Projects motion of pixels to a voxel
Genetic Algorithm based Reactive Force Field optimizer
Calculus Problem Generator is a simple web application that generates calculus problems based on a user-provided integer input. The generated problem is designed such that its solution matches the …
A complete implementation of the Tridecco game board and pieces, supporting a range of advanced operations and complex gameplay mechanics.
Magnificent app which corrects your previous console command.
Add sleep(), usleep() to Node.js, via a C/C++ addons with N-API. implementation true event-loop blocking sleep.
Next Generation Vue UI Component Library
The main repository for the development of the evolution game Thrive.
