Topic: molecular-structures Goto Github
Some thing interesting about molecular-structures
Some thing interesting about molecular-structures
molecular-structures,Image-processing software for cryo-electron microscopy
Organization: 3dem
Home Page: https://relion.readthedocs.io/en/latest/
molecular-structures,🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
User: affjljoo3581
Home Page: https://dacon.io/competitions/official/235789/leaderboard
molecular-structures,Collection scripts and workflows for data analysis on screening
User: agiani99
Home Page: https://github.com/agiani99/KNIME_Screen
molecular-structures,Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
User: aksub99
molecular-structures,Bammellab web page contents
User: bammellab
Home Page: https://bammellab.com
molecular-structures,A python wrapper for Imago OCR
User: bbrighttaer
molecular-structures,Working with molecular structures in pandas DataFrames
Organization: biopandas
Home Page: https://BioPandas.github.io/biopandas/
molecular-structures,Web Interface for ChEMBL @ EMBL-EBI
Organization: chembl
Home Page: https://www.ebi.ac.uk/chembl/
molecular-structures,Object-Oriented Perl 5, Moose Library for Molecular Hacking
User: demianriccardi
molecular-structures,:atom: Molecular viewer [Work in progress]
User: duboviy
molecular-structures,Molecular models of woody biochars at HTT 400C, 600C and 800C; and a collection of experimental property datasets for woody biochars
Organization: erastova-group
molecular-structures,PDBClean helps create a curated ensemble of molecular structures
User: fatipardo
molecular-structures,Predicting Protein – Ligand Interaction by using Deep Learning Models
User: fausticsun
molecular-structures,Predict scalar coupling in molecules
Organization: giotto-ai
molecular-structures,React wrapper for ngl
User: gky360
Home Page: https://gky360.github.io/react-ngl/
molecular-structures,My configuration for UCSF ChimeraX
User: guillawme
molecular-structures,Visualizations of macromolecular structures with UCSF ChimeraX
User: guillawme
molecular-structures,UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions
Organization: insilichem
Home Page: http://tangram-suite.readthedocs.io/en/latest/tangram_gaudiview.html
molecular-structures,Origin of LIFE Research Project.
User: intelsp
molecular-structures,A data set of 20 million calculated off-equilibrium conformations for organic molecules
User: isayev
molecular-structures,A set of tools for the acquisition and analysis of biological data.
User: janeymunoz
molecular-structures,A collection of molecular optimisers and property calculators for use with stk.
Organization: jelfsmaterialsgroup
Home Page: https://stko-docs.readthedocs.io/en/latest/
molecular-structures,Bayesian Illumination is an accelerated generative model for optimization of small molecules.
User: jonas-verhellen
Home Page: https://jonas-verhellen.github.io/Bayesian-Illumination/
molecular-structures,Open source molecular dynamics analysis tools for GROMACS
User: jpatrickbrian
Home Page: https://www.github.com/JPatrickBrian/Redstone-Engineering
molecular-structures,The architector python package - for 3D metal complex design. C22085
Organization: lanl
molecular-structures,Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Organization: lightdock
Home Page: https://lightdock.org/
molecular-structures,A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
User: lukasturcani
molecular-structures,A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
User: lukasturcani
molecular-structures,A cross-platform application for visualization of molecular databases.
User: lukasturcani
molecular-structures,Analysis of non-covalent interactions in MD trajectories
User: maxscheurer
Home Page: https://pycontact.github.io/
molecular-structures,Folder containing the analysis code in C++/Python in MARTINI or SDK
User: mdsyn2019
molecular-structures,Tools for exploration and analysis of biochemical data like genomics and proteins
User: mindleaving
molecular-structures,Script to facilitate the making of horizontal scripts
User: mooerslab
molecular-structures,Construct atomistic (AA) model from Three-Interaction-Site (TIS) coarse-grained model of RNA/DNA
User: naotohori
molecular-structures,WebGL protein viewer
Organization: nglviewer
Home Page: http://nglviewer.org/ngl/
molecular-structures,A Transfer Learning Framework for Organic Solar Cell Prediction using Multi Input Single Output Neural Networks
Organization: nu-cucis
Home Page: https://arxiv.org/abs/1903.03178
molecular-structures,macromolecular crystallography library and utilities
Organization: project-gemmi
Home Page: https://project-gemmi.github.io/
molecular-structures,P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
User: rdk
Home Page: https://rdk.github.io/p2rank/
molecular-structures,Conversion of Protein Data Bank (PDB) structures for 3D printing
User: samuelrsilva
molecular-structures,ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.
User: santuchal
molecular-structures,POSCAR3D is a 3D visualization tool for POSCAR files, offering realistic atom rendering based on van der Waals radii. Developed for researchers and students, it provides an interactive way to explore molecular structures with ease.
User: shahabafshar
molecular-structures,Official implementation of pre-training via denoising for TorchMD-NET
User: shehzaidi
molecular-structures,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)
Organization: sirius-ms
molecular-structures,
User: skignatov
molecular-structures,MSP - Molecular Structure Predictor
Organization: stacs-srg
molecular-structures,Simple Package to calculate Molecular Weight of Compound with Brackets and Numbers.
User: stardustcafe
molecular-structures,This repository contains all in-house command-line tools served in the MCCS protocol.
User: stcmz
molecular-structures,The templete for the web interactive ESF maps
User: yuchees
Home Page: https://www.interactive-esf-maps.app/
molecular-structures,SubFormer-Spec: Implementation of the graph Spectral token with SubFormer architecture
User: zpengmei
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