Automatic Differentiation Multipole Moment Molecular Forcefield
On a single gpu, using waterbox_31ang.pdb example from MPIDplugin which contains 2988 atoms, reciprocal space energy and force calculation (by value_and_grad) takes
105 ms ± 359 µs per loop (mean ± std. dev. of 7 runs, 10 loops each)
self energy is expectedly negligible.
142 µs ± 3.93 µs per loop (mean ± std. dev. of 7 runs, 10000 loops each)
Uniplot Lightweight plotting to the terminal. 4x resolution via Unicode. When working with production data science code it can be handy to have plotti
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ICEcube is a Python library intended to help organize SAR images and annotations for supervised machine learning applications. The library generates m
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mmc installation git clone https://github.com/dmarx/Multi-Modal-Comparators cd 'Multi-Modal-Comparators' pip install poetry poetry build pip install d
Differentiable SVD Introduction This repository contains: The official Pytorch implementation of ICCV21 paper Why Approximate Matrix Square Root Outpe
curl-impersonate A special compilation of curl that makes it impersonate real browsers. It can impersonate the four major browsers: Chrome, Edge, Safa
This is an Unbiased Learning To Rank Algorithms (ULTRA) toolbox, which provides a codebase for experiments and research on learning to rank with human annotated or noisy labels.
AllDataAreExt-Galixir-Kaggle-HPA-2021-Solution Team Members Qishen Ha is Master of Engineering from the University of Tokyo. Machine Learning Engineer
View Demo · Documentation · Medium article 🔍 Overview Eurybia is a Python library which aims to help in : Detecting data drift and model drift Valida
Hierarchical Kinematic Probability Distributions for 3D Human Shape and Pose Estimation from Images in the Wild Akash Sengupta, Ignas Budvytis, Robert
Equivariant Subgraph Aggregation Networks (ESAN) This repository contains the official code of the paper Equivariant Subgraph Aggregation Networks (IC
Official Pytorch implementation of Meta Internal Learning
AutomaticUSnavigation Investigating automatic navigation towards standard US views integrating MARL with the virtual US environment developed in CT2US
Essential BYOL A simple and complete implementation of Bootstrap your own latent: A new approach to self-supervised Learning in PyTorch + PyTorch Ligh
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