Topic: rdkit-chem Goto Github
Some thing interesting about rdkit-chem
Some thing interesting about rdkit-chem
rdkit-chem,An application to perform PAINS analysis for moleclues libraries
User: adam-maz
rdkit-chem,Ruby GEM for RDKit (cheminformatics toolkits)
User: camannguyen
rdkit-chem,A Graph Neural Network to classify human HIV inhibitor molecules using DeepChem feature extractor
User: devnithw
rdkit-chem,This repo holds the code of the competition "Central Nervous System (CNS) drug development: drug screening and optimization".
User: gardevoirx
Home Page: https://bohrium.dp.tech/competitions/9169114995?tab=datasets
rdkit-chem,ExPro aims to provide the platform were the student can learn, explore and test out by interacting related to bio informatics sequencing (Protein)🔬
User: hrishikesh332
rdkit-chem,X-Mol aims to provide the platform to explore the world of chemistry 🌎. It helps to understand the chemical structure in a better manner by interacting with the 3D chemical structure and also the nomenclature from SMILES 😊. The application also focuses on teaching the rules, examples, resources, test and certification to make base more strong 🏆
User: hrishikesh332
rdkit-chem,instantiate an RDKit web worker in a React context
Organization: iktos
rdkit-chem,Prediction of LogP from SMILES datasets of chemical molecules
User: kayneong
rdkit-chem,This is an introductory deep learning model which uses the Deepchem package. Lots of credit has to be given to the authors(Ramsundar B., Eastman P., Walters P., Pande V.) of the book "Deep Learning for the Life Sciences". This book has been a gold mine in terms of my exploration and journey in DeepLearning in the field of biochemistry.
User: kcncell
rdkit-chem,Root-mean-square deviation of atomic positions
User: neudinger
rdkit-chem,Source code for "Prediction of Membrane Permeability of Molecules Using Machine Learning"
User: nilot-pal
rdkit-chem,This Streamlit app allows you to search for the most "druglike" molecules basing on the "Rule of five"
User: pharmacyinformatics
rdkit-chem,A Windows GUI software for performing machine learning (ML) tasks in chemistry.
User: phatdatnguyen
Home Page: https://github.com/phatdatnguyen/JadeChem
rdkit-chem,
User: pmbadani
rdkit-chem,GNN, GCN, Molecular Solubility, RDKit, Cheminformatics
User: rnepal2
rdkit-chem,SMILE to Descriptors and Fingerprint Generators
User: santuchal
rdkit-chem,Modeling Organic Chemical Reactions through the use of Machine Learning
User: schimidt99
rdkit-chem,This repository will help you to screen large library of molecules at early stage. This repo comprises 3 notebooks that split large sdf files into smaller sets that are easy to handle, similarity_check_rdkit that uses tanimoto coefficeient to screen the libraries against your target structure.
User: shubhamkrpandey19
rdkit-chem,rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
User: suneelbvs
rdkit-chem,Streamlit multipage app on rdKit Cheatsheet
User: suneelbvs
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