chemicalxA PyTorch and TorchDrug based deep learning library for drug pair scoring.
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malware api classMalware dataset for security researchers, data scientists. Public malware dataset generated by Cuckoo Sandbox based on Windows OS API calls analysis for cyber security researchers
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Word-Level-Eng-Mar-NMTTranslating English sentences to Marathi using Neural Machine Translation
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3DInfomaxMaking self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
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tesla-stocks-predictionThe implementation of LSTM in TensorFlow used for the stock prediction.
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FMolA simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and checking the druggability with fpocket/Amber.
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privapiDetect Sensitive REST API communication using Deep Neural Networks
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lstm-numpyVanilla LSTM with numpy
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parapredParatope Prediction using Deep Learning
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Fun-with-MNISTPlaying with MNIST. Machine Learning. Generative Models.
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bidd-molmapMolMap: An Efficient Convolutional Neural Network Based Molecular Deep Learning Tool
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pysmilesA lightweight python-only library for reading and writing SMILES strings
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DeepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
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NDDDrug-Drug Interaction Predicting by Neural Network Using Integrated Similarity
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RcpiMolecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.
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LSTM-footballMatchWinnerThis repository contains the code for a conference paper "Predicting the football match winner using LSTM model of Recurrent Neural Networks" that we wrote
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awesome-small-molecule-mlA curated list of resources for machine learning for small-molecule drug discovery
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protwisProtwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
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nequipNequIP is a code for building E(3)-equivariant interatomic potentials
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DeepLogThis is the realization of core DeepLog
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contextualLSTMContextual LSTM for NLP tasks like word prediction and word embedding creation for Deep Learning
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pinotProbabilistic Inference for NOvel Therapeutics
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ChaseAutomatic trading bot (WIP)
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deep-spell-checkrKeras implementation of character-level sequence-to-sequence learning for spelling correction
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rxdockRxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
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DeepLearning-PadhAIAll the code files related to the deep learning course from PadhAI
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CANDOComputational Analysis of Novel Drug Opportunities
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RamaNetPreforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
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AMIDDIntroduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
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GLaDOSWeb Interface for ChEMBL @ EMBL-EBI
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cbh21-protein-solubility-challengeTemplate with code & dataset for the "Structural basis for solubility in protein expression systems" challenge at the Copenhagen Bioinformatics Hackathon 2021.
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chempropFast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
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skywalkRcode for Gogleva et al manuscript
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amrOfficial adversarial mixup resynthesis repository
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gnn-lspeSource code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations), ICLR 2022
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continuous BernoulliThere are C language computer programs about the simulator, transformation, and test statistic of continuous Bernoulli distribution. More than that, the book contains continuous Binomial distribution and continuous Trinomial distribution.
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deep-learningProjects include the application of transfer learning to build a convolutional neural network (CNN) that identifies the artist of a painting, the building of predictive models for Bitcoin price data using Long Short-Term Memory recurrent neural networks (LSTMs) and a tutorial explaining how to build two types of neural network using as input the…
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react-native-templateAn enterprise react-native template application showcasing - Testing strategy, Global state management, middleware support, a network layer, component library integration, localization, navigation configuration and CI
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Jupyter DockJupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
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