Pinned Repositories
torchani
Accurate Neural Network Potential on PyTorch
GPUMD
Graphics Processing Units Molecular Dynamics
CP2K_scripts
GMX
GMX——tools
Lammps_tools
Tools for Lammps dump files (based on pizza.py)
VASP_script
Useful scripts for VASP
VASPKIT_manual
VASPKIT_manual markdown source!
VEUSZ-for-GPUMD
VEUSZ plotting scripts for GPUMD simulations
XDATCAR_toolkit
XDATCAR_toolkit- A tool for convert XDATCAR to PDB
veusz
Veusz scientific plotting application
tamaswells's Repositories
tamaswells/GMX
GMX——tools
tamaswells/CP2K_scripts
tamaswells/Plot_scripts_Matplotlib
tamaswells/GMX_tools
Gromacs tools
tamaswells/Neural_Network_Potential-nnp-
tamaswells/CUDA-Programming
Sample codes for my CUDA programming book
tamaswells/tensorflow-handbook
简单粗暴 TensorFlow 2.0 | A Concise Handbook of TensorFlow 2.0
tamaswells/Toy-MD
Python code for learning Molecular Dynamics simulations
tamaswells/C-Plus-Plus
All Algorithms implemented in C++
tamaswells/cluster_Li_SSE
tamaswells/comp-phys
Computational Physics
tamaswells/DMP
Codes and sample data supporting the Dutch Microbiome Project. The preprint is currently available at https://www.biorxiv.org/content/10.1101/2020.11.27.401125v1 and full data can be requested from EGA (https://ega-archive.org/studies/EGAS00001005027) and Lifelines biobank (https://www.lifelines.nl/researcher)
tamaswells/dpgen
The deep potential generator
tamaswells/ECH60
Numerical Methods using Python
tamaswells/i-pi-driver
Socket client for i-PI package
tamaswells/layui
采用自身模块规范编写的前端 UI 框架，遵循原生 HTML/CSS/JS 的书写形式，极低门槛，拿来即用。
tamaswells/love
love_matters
tamaswells/MyScripts-1
Some useful scripts or awk program for dealing with gromacs data
tamaswells/neural_network_potential
tamaswells/oxi_diel_db
Database and machine learning prediction models of dielectric constants of oxides obtained by first principles calculations.
tamaswells/Password-Dictionaries
收集的压缩包解压密码，包括：自己遇到的、网络采集的等
tamaswells/pysimm
python simulation interface for molecular modeling
tamaswells/Python-1
Source code about Python Development
tamaswells/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
tamaswells/QUIP_GAP_glosim
QUIP_GAP_glosim
tamaswells/simple-md-matlab
A 100-line molecular dynamics code written in matlab
tamaswells/soapgp
Molecular Property Prediction using GP with a SOAP kernel
tamaswells/torchani
Accurate Neural Network Potential on PyTorch
tamaswells/VASPKIT_CUP
tamaswells/ZJU_back_emails
备份邮箱