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Search results for atom editor molecule
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React Atomic Design
⭐
1,525
🔬 How the Atomic Design methodology can create a great design system from scratch and make better developers.
Rmsd
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438
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
Ketcher
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389
Web-based molecule sketcher
Speck
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305
Browser-based WebGL molecule renderer with the goal of producing figures that are as attractive as they are practical.
Moltemplate
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186
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Espaloma
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181
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
Glsltuto
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165
GLSL shaders tutorial
Mldl Md Dynamics
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145
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
Atoms
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120
Atomic development
Pyband
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120
band plot using python matplotlib
Pysmiles
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117
A lightweight python-only library for reading and writing SMILES strings
Beautiful Atoms
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102
Python module for drawing and rendering beautiful atoms and molecules using Blender.
G Schnet
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101
G-SchNet - a generative model for 3d molecular structures
Vue Cli Plugin Atomic Design
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95
Vue CLI plugin for Atomic Design & Storybook
Atomium
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92
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
Vasp
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90
New ASE compliant Python interface to VASP
Atomic Framework
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68
Organising Sass modules into quarks, atoms and molecules
Openchemlib
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66
Open source Java-based chemistry library
Xyz2graph
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58
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
Maslow Create
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58
A community cloud CAD program for cooperative design.
Cero Components
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50
Component library for Cero a Producción Project
Transformer Cnn
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44
Transformer CNN for QSAR/QSPR modelling
Hartreefock
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41
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
Rdeditor
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41
Simple RDKit molecule editor GUI using PySide
Keras Neural Graph Fingerprint
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41
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
Atom Molecule Dev Environment
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39
Molecule IDE based on Atom.io
Wp Components
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39
A library of the most common WordPress components, useful for theme and plugin development.
Atomicfuckingdesign Seed
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37
Arquitetura para programadores vagabundos que amam modularizar
Apbcss
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37
APB CSS - Atomic Parts Base CSS -
D3 Molecule
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35
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
Opussolver
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34
Automated solver for Opus Magnum puzzles
React Component Design
⭐
34
Guiding principles for building React Components
Pmx
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33
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
React Native Template
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33
An enterprise react-native template application showcasing - Testing strategy, Global state management, middleware support, a network layer, component library integration, localization, navigation configuration and CI
Tic Tac Vue
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31
A simple Tic-Tac-Toe game written in Vue.
Aimnet
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31
Atoms In Molecules Neural Network Potential
Helfem
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30
Finite element methods for electronic structure calculations on small systems
Lean Theme
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28
Explorer Web
⭐
26
Explore the Po.et Network and manage your API Tokens
Gochem
⭐
25
A library for computational Chemistry in the Go programming language
Mso
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25
Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert
Entangle
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21
Global state management tool for react hooks inspired by RecoilJS and Jotai using proxies.
Molscat
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21
Vipster
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21
Visualization and editing of periodic molecular structure files.
Molfunc
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20
fast functionalisation of molecules
Amber Umbrella_com_restraint_tutorial
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20
Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane
Atomix
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19
Read-only mirror of https://gitlab.gnome.org/GNOME/atomix
Pyar
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18
Python program for aggregation and reaction
Molenc
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17
MolEnc: a molecular encoder using rdkit and OCaml.
Nuclearjs
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17
Test Cases Boilerplate for CasperJS
Hfsolver
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16
Hartree Fock solver
Matlab_real_space
⭐
15
Electronic structure code for molecules and clusters
Playmol
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13
Playmol is a(nother) software for building molecular models
Web
⭐
13
Trama platform webapp
Orient Molecule
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13
Python script for command-line manipulation of molecules
Squirm3
⭐
12
Artificial chemistry
Chemper
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12
Repository for Chemical Perception Sampling Tools
Dracon
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10
Atomyc.github.io
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10
First framework design with atomic design
Atom
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9
Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
Shelxfile
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9
A parser and editor for SHELXL files.
Nijinowa
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8
Web application built only with React Hooks
Reena
⭐
8
✨ Opinionated React Native starter kit
Mastic
⭐
8
Multi-Atom Structure/Selection Toolkit with Interaction Capabilities
Huckel Molecular Orbital Calculation
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8
A program to perform Huckel molecular orbital caluclations on molecules.
Ofxmol
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8
Parser, data structure and mesh generators for biological macromolecules.
Atomic
⭐
8
Pharo game: The objective of the game is to build molecules moving the given atoms.
Ansible Role Atom
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8
Ansible role for installing the atom.io editor
Chemicl
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8
A cheminformatics library in Common Lisp
Dicetools
⭐
7
Repository of selected Python 3 scripts used to aid data analysis and input generation of Monte Carlo and Configurational Bias Monte Carlo simulations performed with Dice.
Ad Cli
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7
Cli tool & frontend app structure using atomic design, typescript, redux and more
Chem Preview
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7
Augmented Reality App
Alchemical Setup
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7
Off Ffcompare
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6
Compare molecular structures after energy minimization in various force fields.
Ubuntu Laptop Playbook
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6
Linux laptop setup and configuration via Ansible.
Moleculeviewer
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6
A package for visualizing molecules.
Atom_mapper
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6
Atom order in one molecule is made to match that in another
Squirm3artificialchemistry
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6
Artificial Chemistry Examples based on Tim Hutton's work
Gchemol
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5
Graph based CHEMical Object Library (legacy)
Treactor Go
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5
tReactor (Telemetry Reactor) is a microservice designed to test and experiment with observability of microservices.
Comet Pytorch
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5
COMET(Chemically Omnipotent Molecular Encoder from Transformer). Pre-trained GCN molecular encoder with atom-masking pre-training tasks
Molblend
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5
Addon for Blender to import and work with molecules and other atomic structures
Dorcss
⭐
5
DORCSS(ドールシーエスエス)はRole(役割)を分担・分割(Division)することで影響範
Dsr
⭐
5
Refinement of disordered structures with SHELXL
Tutorial
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5
A tutorial project to show how Maslow Create works
Grmsd
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5
Programs of the G-RMSD (Generalized Root Mean Square Deviation) Method for Measuring Molecular Similarity in 3D.
Scf_szabo
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5
This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A. Szabo and N. Ostlund. I have included a built executable "scf_basic_version_1_0" and an output file called "out" which lists the results. Run the command "make" to build this. Note that this software is not designed to be either efficient in terms of performance or in terms of coding. It is designed as a bit of fun to convert the original Fortran IV code into
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