107 Repositories
Python molecular-dynamics Libraries
NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks.
NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks.
12k Jan 2, 2023
Dataset Cartography: Mapping and Diagnosing Datasets with Training Dynamics
Dataset Cartography Code for the paper Dataset Cartography: Mapping and Diagnosing Datasets with Training Dynamics at EMNLP 2020. This repository cont
125 Dec 22, 2022
Baselines for TrajNet++
TrajNet++ : The Trajectory Forecasting Framework PyTorch implementation of Human Trajectory Forecasting in Crowds: A Deep Learning Perspective TrajNet
183 Jan 5, 2023
Python script for Linear, Non-Linear Convection, Burger’s & Poisson Equation in 1D & 2D, 1D Diffusion Equation using Standard Wall Function, 2D Heat Conduction Convection equation with Dirichlet & Neumann BC, full Navier-Stokes Equation coupled with Poisson equation for Cavity and Channel flow in 2D using Finite Difference Method & Finite Volume Method.
Navier-Stokes-numerical-solution-using-Python- Python script for Linear, Non-Linear Convection, Burger’s & Poisson Equation in 1D & 2D, 1D D
89 Jan 4, 2023
Differentiable molecular simulation of proteins with a coarse-grained potential
Differentiable molecular simulation of proteins with a coarse-grained potential This repository contains the learned potential, simulation scripts and
44 Dec 10, 2022
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data.
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data.
212 Dec 25, 2022
Fast and Easy Infinite Neural Networks in Python
Neural Tangents ICLR 2020 Video | Paper | Quickstart | Install guide | Reference docs | Release notes Overview Neural Tangents is a high-level neural
1.9k Jan 9, 2023