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chainer-graph-cnnChainer implementation of 'Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering' (https://arxiv.org/abs/1606.09375)
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isotopeHaskell library containing isotopic masses and relative abundances for elements from Hydrogen to Bismuth and Thorium and Uranium (excluding Technetium and promethium), i.e., all elements with naturally-occurring isotopes.
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pb-gcnCode for the BMVC paper (http://bmvc2018.org/contents/papers/1003.pdf)
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Stars: ✭ 89 (+28.99%)
chainer-LSGANLeast Squares Generative Adversarial Network implemented in Chainer
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kGCNA graph-based deep learning framework for life science
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cdk pywrapperA Python wrapper for the Chemistry Development Kit (CDK)
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html-integrationsThe official JavaScript library for MathType, the leading formula editor and equation writer for the web by Wiris
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qcmaquisRelease-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
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py-msa-kdenlivePython script to load a Kdenlive (OSS NLE video editor) project file, and conform the edit on video or numpy arrays.
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3DCSGNetCSGNet for voxel based input
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MolecularGraph.jlGraph-based molecule modeling toolkit for cheminformatics
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NeuralDaterACL 2018: Dating Documents using Graph Convolution Networks
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pyljTeaching Utility for Classical Atomistic Simulation.
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chainer-ADDAAdversarial Discriminative Domain Adaptation in Chainer
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gcWGANGuided Conditional Wasserstein GAN for De Novo Protein Design
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chainer-Fast-WaveNetA Chainer implementation of Fast WaveNet(mel-spectrogram vocoder).
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spectrochempySpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
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STEPSpatial Temporal Graph Convolutional Networks for Emotion Perception from Gaits
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molassemblerChemoinformatics toolkit with support for inorganic molecules
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bioiconsA library of free open source icons for science illustrations in biology and chemistry
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catplotA Python Library for Energy Profile and Abstract Grid(2D/3D) plotting
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gans-in-action"GAN 인 액션"(한빛미디어, 2020)의 코드 저장소입니다.
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vae-torchVariational autoencoder for anomaly detection (in PyTorch).
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MidiTokA convenient MIDI / symbolic music tokenizer for Deep Learning networks, with multiple strategies 🎶
Stars: ✭ 180 (+160.87%)
qp2Quantum Package : a programming environment for wave function methods
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Generalization-Causality关于domain generalization,domain adaptation,causality,robutness,prompt,optimization,generative model各式各样研究的阅读笔记
Stars: ✭ 482 (+598.55%)
char-VAEInspired by the neural style algorithm in the computer vision field, we propose a high-level language model with the aim of adapting the linguistic style.
Stars: ✭ 18 (-73.91%)
style-vaeImplementation of VAE and Style-GAN Architecture Achieving State of the Art Reconstruction
Stars: ✭ 25 (-63.77%)
DLBFoam-1.0DLBFoam: An open-source dynamic load balancing model for fast reacting flow simulations in OpenFOAM. https://doi.org/10.1016/j.cpc.2021.108073
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GLaDOSWeb Interface for ChEMBL @ EMBL-EBI
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lightdockProtein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
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ShapeFormerOfficial repository for the ShapeFormer Project
Stars: ✭ 97 (+40.58%)
CATmistryChemistry, Gamified
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GrabNetGrabNet: A Generative model to generate realistic 3D hands grasping unseen objects (ECCV2020)
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SciCompforChemistsScientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
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mddatasetbuilderA script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
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lda2vecMixing Dirichlet Topic Models and Word Embeddings to Make lda2vec from this paper https://arxiv.org/abs/1605.02019
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tutorialsIntroduction to Deep Learning: Chainer Tutorials
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KinBotAutomated reaction pathway search for gas-phase molecules
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mendeleevA python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
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EzResonAn efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
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