molecular-structures topic

List molecular-structures repositories

react-ngl

21
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11
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React wrapper for ngl

verified publisher icon gky360

GLaDOS

41
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5
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Web Interface for ChEMBL @ EMBL-EBI

verified publisher icon chembl

Samsung-AI-Challenge-for-Scientific-Discovery

53
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7
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🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇

verified publisher icon affjljoo3581

stk-vis

32
Stars
4
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A cross-platform application for visualization of molecular databases.

verified publisher icon lukasturcani

sirius

84
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20
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SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

verified publisher icon sirius-ms

mol-draw

17
Stars
1
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A lightweight, 3D molecular viewer for JavaScript and PureScript applications.

verified publisher icon lukasturcani

Architector

38
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6
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The architector python package - for 3D metal complex design. C22085

verified publisher icon lanl

pre-training-via-denoising

85
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14
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Official implementation of pre-training via denoising for TorchMD-NET

verified publisher icon shehzaidi

stko

21
Stars
8
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A collection of molecular optimisers and property calculators for use with stk.

verified publisher icon JelfsMaterialsGroup

EasyPyMOL

15
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18
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Script to facilitate the making of horizontal scripts

verified publisher icon MooersLab