ambermd

There are 0 repository under ambermd topic.

alanwilter / acpype
OFFICIAL: AnteChamber PYthon Parser interfacE
python3 ambertools gromacs ambermd charmm cns xplor topologies
Language:Python 170
Amber-MD / pytraj
Python interface of cpptraj
ambermd ambertools interactive-analysis molecular-dynamics trajectory-analysis visualization
Language:Jupyter Notebook 159
CyberCatQ / pyCADD
A python package for computer-aid drug design.
cadd schrodinger molecular-dynamics computer-aid-drug-design python ambermd
Language:Python 27
DashMD
cbouy / DashMD
Real time monitoring and visualization of Amber MD simulations
ambermd bokeh compchem computational-chemistry molecular-dynamics molecular-modeling ngl
Language:Python 15
GilsonLabUCSD / Sensitivity-Analysis
a force field optimization tool
ambermd
Language:C++ 3
suleymanselim / AmberTutorials
ambermd ambertools molecular-dynamics
Language:Shell 1
atn-journal / lemonpy
Tools for personal use. Feel free to use/modify.
ambermd cpptraj pmemd modeller
Language:Shell 0
hhg7 / PDB_stacker
takes a time directory of PDB files and shows stacking percentage as a function of time
amber ambermd
Language:Perl 0
juvion / AmberFF_tRNA
Amber force field parameters (based on ff99) for tRNAs
rna ambermd amber force-fields molecular-dynamics-simulation modified-residues
0
mhriitm / mhriitm.github.io
This my personal website
ambermd ambertools drug-design drug-discovery drug-repurposing gromacs machine-learning machinelearning-python molecular-dynamics molecular-dynamics-simulation molecular-modeling
Language:HTML 0
SwaroopKunapuli / SGMVMOO
Stochastic Global Multi-Variable Multi-Objective Optimization
ambermd genetic-algorithm lammps optimization-algorithms python