Pinned Repositories
flappybird-qlearning-bot
Flappy Bird Bot using Reinforcement Learning
freeenergy
HartreeFock.jl
Hartree-Fock in Julia
helpme
helPME: an efficient library for particle mesh Ewald
IQmol3
IQmol version 3
libsqm
Shared library version of the sqm program from AmberTools
openmm-constforce-plugin
An OpenMM plugin to add constant forces
pydftd3
A Python wrapper for S. Grimme's DFTD3 code
qmhub
A QM/MM interface
string-amber
Adaptive string method implementation in sander (AmberTools19+)
panxl's Repositories
panxl/qmhub
A QM/MM interface
panxl/freeenergy
panxl/HartreeFock.jl
Hartree-Fock in Julia
panxl/IQmol3
IQmol version 3
panxl/openmm-constforce-plugin
An OpenMM plugin to add constant forces
panxl/string-amber
Adaptive string method implementation in sander (AmberTools19+)
panxl/flappybird-qlearning-bot
Flappy Bird Bot using Reinforcement Learning
panxl/helpme
helPME: an efficient library for particle mesh Ewald
panxl/JuMD.jl
panxl/libsqm
Shared library version of the sqm program from AmberTools
panxl/libsqm_jll.jl
panxl/pydftd3
A Python wrapper for S. Grimme's DFTD3 code
panxl/torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers
panxl/openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
panxl/panxl.github.io
panxl/ParmEd
Parameter/topology editor and molecular simulator
panxl/pxt-powerbrick
Designed by KittenBot Team to connect micro:bit to LEGO bricks, it's a new mode of electronics modules could programming by makecode
panxl/pyh4
A Python wrapper for H4 hydrogen bonding correction code
panxl/qarchive
panxl/Yggdrasil
Collection of builder repositories for BinaryBuilder.jl