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编程语言

”potential-energy“ 的搜索结果

deepmodeling/deepmd-kit
deepmd-kit
@deepmodeling

#计算机科学#A deep learning package for many-body potential energy representation and molecular dynamics

深度学习Molecular Dynamicsdeepmdlammpspotential-energy
Python1.71 k
11 小时前

相关主题

深度学习Molecular DynamicsAndroidPythonChemistrymolecular-simulation框架Desktop神经网络

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National Renewable Energy Laboratory
reV
National Renewable Energy Laboratory@NREL

Renewable Energy Potential (reV) Model

Python122
4 天前
dpgen
@deepmodeling

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

Pythonactive-learning
Python348
1 天前
National Renewable Energy Laboratory
reVX
National Renewable Energy Laboratory@NREL

The Renewable Energy Potential(V) eXchange Tool: reVX

Python26
1 个月前
PES-Learn
@CCQC

Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

Python72
13 天前
gamd-openmm
@MiaoLab20

Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost pote...

Python83
21 天前
ModeMap
@JMSkelton

A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.

Fortran44
1 年前
graph-pes
@jla-gardner

#计算机科学#train and use graph-based ML models of potential energy surfaces

Chemistry深度学习框架机器学习
Python99
15 天前
PESViewer
@rubenvdvijver

Depiction of Potential Energy Surfaces

Python15
1 年前
MEPplot
@XinChenQC

A GUI program for plotting Minimal energy path on potential energy surface.

Python38
4 年前
Facebook Archive
mention-bot存档
Facebook Archive@facebookarchive

Automatically mention potential reviewers on pull requests.

JavaScript3.36 k
7 年前
Nugget
@leminlimez

Unlock the fullest potential of your device

Python3.16 k
1 天前
diffy存档
@twitter-archive

Find potential bugs in your services with Diffy

Scala3.83 k
5 年前
Page-Object-WMF-spike
@chrismcmahon

potential framework

Ruby10
5 年前
energy
@energye

Energy is a framework developed by Go language based on CEF (Chromium Embedded Framework) for developing cross-platform desktop applications for Windows, Mac OS X, and Linux

GoLinuxmacOSWindows
Go486
1 个月前
torchani
@aiqm

#计算机科学#Accurate Neural Network Potential on PyTorch

深度学习神经网络quantum-chemistrymolecular-simulation
Python500
9 个月前
myems
@MyEMS

Energy Management System

energy-management-systemenergy-monitorenergy-storagemicrogridpv
Python479
2 天前
Tritium
@YumeYuka

#安卓#最大化CPU的潜力 Maximize the potential of CPU

schedulersAndroidsocthreadsperformance
Shell254
20 天前
insiders
@trickest

Archive of Potential Insider Threats

assetsBug Bountybugbounty-toolbugbountytips
146
2 年前
awesome-ebm
@yataobian

#计算机科学#Collecting research materials on EBM/EBL (Energy Based Models, Energy Based Learning)

energyenergy-based-model机器学习
314
6 天前
kable
@JuulLabs

#安卓#Kotlin Asynchronous Bluetooth Low-Energy

bluetooth-low-energyKotlin Multiplatformkotlin-coroutinesApple
Kotlin989
2 天前
btlejack
@virtualabs

Bluetooth Low Energy Swiss-army knife

Python2.02 k
1 年前
cordova-plugin-bluetoothle
@randdusing

Bluetooth Low Energy Phonegap Plugin

Objective-C806
1 年前
venus
@victronenergy

Victron Energy Unix/Linux OS

Python672
18 天前
JamesCJ60/Universal-x86-Tuning-Utility
Universal-x86-Tuning-Utility
@JamesCJ60

Unlock the full potential of your Intel/AMD based device.

intelamdoverclockingpower-controlryzen
HLSL2.1 k
21 天前
aimnet
@aiqm

#计算机科学#Atoms In Molecules Neural Network Potential

深度学习Chemistryquantum-chemistry神经网络
Python106
6 年前
lammps-conp
@zhenxingwang

Constant potential method in LAMMPS

C++50
2 年前
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