-
-
-
vbatch Public
Slurm type job submit tool for ByteDance volc platform
-
oxDNA Public
Forked from lorenzo-rovigatti/oxDNAA new version of the code to simulate the oxDNA/oxRNA models, now equipped with Python bindings
C++ GNU General Public License v3.0 UpdatedOct 31, 2024 -
FastLomap-stable Public
Forked from ohuelab/FastLomapAlchemical mutation scoring map
Python MIT License UpdatedMay 16, 2024 -
tacoxDNA-cli Public
Forked from lorenzo-rovigatti/tacoxDNAA fork of oxDNA with easy-to-install cli tools
Mathematica GNU General Public License v3.0 UpdatedMay 16, 2024 -
-
geomeTRIC_jit Public
Forked from leeping/geomeTRICGeometry optimization code that includes the TRIC coordinate system
-
DMPolar Public
Differential molecule polarizable force field builder based on DMFF
-
-
OpenITS Public
Implementation of integrated tempering sampling method in OpenMM
-
Uni-Mol-Atomic Public
Forked from deepmodeling/Uni-MolOfficial Repository for the Uni-Mol Series Methods (Atomic embedding ver.)
Python MIT License UpdatedMar 24, 2023 -
-
rid-kit Public
Forked from deepmodeling/rid-kitReinforced dynamics
Python GNU Lesser General Public License v3.0 UpdatedDec 29, 2022 -
msys Public
Forked from DEShawResearch/msysTools for preparation and analysis of systems for molecular dynamics.
C++ Other UpdatedAug 31, 2022 -
DPDelta Public
Delta learning between QM energy and AMOEBA energy
Python MIT License UpdatedJul 16, 2022 -
DMFF Public
Forked from deepmodeling/DMFFPython GNU Lesser General Public License v3.0 UpdatedJul 6, 2022 -
molpy Public
Forked from MolCrafts/molpyA data structure used to describe molecules in computational chemistry, just like numpy in data science
Python BSD 3-Clause "New" or "Revised" License UpdatedJun 23, 2022 -
Extending and Modifying OpenMM: Write Your Own Code
-
-
powerfit Public
Forked from haddocking/powerfitRigid body fitting of atomic strucures in cryo-electron microscopy density maps
Python Apache License 2.0 UpdatedNov 25, 2021 -
-
chainofstate Public
Chain-of-state Methods
Python GNU General Public License v3.0 UpdatedJul 30, 2021 -
-
-
-
openmm-cosacc Public
Cosine acceleration for viscosity calculation
-
openmm-customtools Public
Some CustomBond and CustomIntegrator classes for collective varible defining and enhanced sampling
-
i-pi-driver Public
Socket client for i-PI package
-
{{ message }}