Topic: smiles Goto Github
Some thing interesting about smiles
Some thing interesting about smiles
smiles,🧬🦠🧪 [research][wip] Library for working with DNA, RNA, and etc acids
User: 0xf6
smiles,A uni project developped to take an organic molecule written in SMILES and give back the point group
User: alexandreklr
smiles,Chemical structure generation for protein sequences as SMILES string.
User: althonos
smiles,A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Organization: astrazeneca
Home Page: https://chemicalx.readthedocs.io
smiles,Robotic Process Automation Boilerplate Template for web controller systems
User: avimehenwal
Home Page: https://en.wikipedia.org/wiki/Robotic_process_automation
smiles,DeepSMILES - A variant of SMILES for use in machine-learning
User: baoilleach
smiles,Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert
Organization: bayer-science-for-a-better-life
smiles,A machine learning pipeline for the prediction of aqueous solubility of small chemical compounds is proposed. Pairs of SMILES chemical structures and experimental values of the solubility are used to learn a model. A Flask application reads the SMILES chemical structure of a new compound and predicts the solubility missing value in logS units.
User: bogdantarus
smiles,Script developed to transform the amino acid smiles to one letter code for later analysis
User: brendaferrari
smiles,Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules
User: cdal-schoi
smiles,A toolkit for working with coarse-grain systems
Organization: cmelab
Home Page: https://grits.readthedocs.io
smiles,Smilez is a simple compression library for SMILES strings.
User: davidlorenzana
smiles,Grammar Variational Autoencoder for Smiles.
Organization: dbkgroup
smiles,Universal cheminformatics toolkit, utilities and database search tools
Organization: epam
Home Page: http://lifescience.opensource.epam.com
smiles,Collection of data sets of molecules for a validation of properties inference
User: glambard
smiles,A Knowledge Graph of Common Chemical Names to their Molecular Definition
Organization: global-chem
Home Page: https://globalchemistry.org/
smiles,PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
User: ishan-kumar2
smiles,IUPAC SMILES+ Specification
Organization: iupac
smiles,A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase synthetic accessibility of de-novo designed drugs.
User: jcathalina
smiles,A tool to convert IUPAC representations of glycans into SMILES strings.
Organization: kalininalab
Home Page: https://glyles.readthedocs.io
smiles,The repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition
User: kohulan
smiles,Transformer based SMILES to IUPAC Translator
User: kohulan
smiles,Amazon.de smiles redirect plugin for Chrome
User: langhalsdino
smiles,chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
User: longemen3000
smiles,A feature engineering package for deep learning models, based on a SMILES representation of chemical compounds. Enables fast customization and testing of feature matrices.
User: mateuszrezler
smiles,Classical cheminformatics and deep generative models
User: med-sci
smiles,Tool for creating deep learning model for predicting properties of chemical compounds based on SMILES.
User: mmgalushka
smiles,Extract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.
Organization: moleculetransformers
smiles,This repository contains the query and processing code to support the publication "Wikipedia curation and the US-EPA CompTox Chemicals Dashboard."
User: mrmsds
smiles,R functionalites for ChemSpider's new API services
Organization: nivanorge
Home Page: https://developer.rsc.org/compounds-v1/apis
smiles,The BERT-based embedding model for SMILES molecule representation
User: odb9402
smiles,pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
Organization: paccmann
smiles,Python tool for scraping geometric X-ray Data from the Cambridge Structural Database
Organization: patonlab
Home Page: http://www.patonlab.com
smiles,A lightweight python-only library for reading and writing SMILES strings
User: pckroon
smiles,This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics and drug discovery projects
User: rohanv01
smiles,yet another ChemClassifier (Python based on wikibase-cli and rdkit)
User: rwst
smiles,RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
Organization: rxn4chemistry
Home Page: http://rxnmapper.ai
smiles,Special text converter for easy converting text to text of smiles
User: sensone
Home Page: https://break-the-system.herokuapp.com/
smiles,A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.
User: shiwentao00
smiles,Molecular Generation by Fast Assembly of SMILES Fragments
User: unixjunkie
smiles,3D diverse conformers generation using rdkit
User: unixjunkie
smiles,Light-weight browser extension to copy random molecule data from trusted sources that can be used by scientists and enthusiasts alike.
User: vabe
smiles,SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal) [Nature Communications]
User: xiaohang007
Home Page: https://www.nature.com/articles/s41467-023-42870-7
smiles,React components integrating OpenChemLib
Organization: zakodium-oss
Home Page: https://zakodium-oss.github.io/react-ocl
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