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Software-mod Public
This repo contains modifications to the popular computational software. Modifications were made for specific purposes. Main code credit to the its original authors.
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ComputTools Public
Tools for Computational Chemistry tasks
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sc-agent-skills-files Public
Forked from https-deeplearning-ai/sc-agent-skills-filesdeeplearning.ai Agent Skills
Python UpdatedFeb 9, 2026 -
tinker Public
Forked from TinkerTools/tinkerTinker: Software Tools for Molecular Design
Fortran Other UpdatedFeb 21, 2025 -
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FreeSolv Public
Forked from MobleyLab/FreeSolvExperimental and calculated small molecule hydration free energies
Python UpdatedOct 14, 2022 -
tinker9 Public
Forked from TinkerTools/tinker-gpuTinker9: Next Generation of Tinker with GPU Support
C++ Other UpdatedJun 30, 2022 -
torchmd Public
Forked from torchmd/torchmdEnd-To-End Molecular Dynamics (MD) Engine using PyTorch
Python MIT License UpdatedJan 22, 2022 -
PyAutoFEP Public
Forked from luancarvalhomartins/PyAutoFEPPyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
Python UpdatedJan 22, 2022 -
alphafold Public
Forked from google-deepmind/alphafoldOpen source code for AlphaFold.
Python Apache License 2.0 UpdatedJan 22, 2022 -
chinese-independent-developer Public
Forked from 1c7/chinese-independent-developer👩🏿💻👨🏾💻👩🏼💻👨🏽💻👩🏻💻中国独立开发者项目列表 -- 分享大家都在做什么
UpdatedDec 8, 2021 -
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opendata Public
Forked from NationalGalleryOfArt/opendataThe National Gallery of Art Open Data Program
Shell Creative Commons Zero v1.0 Universal UpdatedNov 20, 2021 -
DockingUtilities Public
Collections of light programs for molecular docking simulations
Python UpdatedNov 2, 2021 -
website-templates Public
Forked from learning-zone/website-templates150+ Website Templates
JavaScript UpdatedOct 28, 2021 -
DockStream Public
Forked from MolecularAI/DockStreamDockStream: A Docking Wrapper to Enhance De Novo Molecular Design
Python Apache License 2.0 UpdatedAug 2, 2021 -
rtl8821CU Public
Forked from brektrou/rtl8821CURealtek RTL8811CU/RTL8821CU USB Wi-Fi adapter driver for Linux
C GNU General Public License v2.0 UpdatedMay 18, 2021 -
GraphINVENT Public
Forked from MolecularAI/GraphINVENTGraph neural networks for molecular design.
Python MIT License UpdatedMay 5, 2021 -
makeyourownneuralnetwork Public
Forked from makeyourownneuralnetwork/makeyourownneuralnetworkCode for the Make Your Own Neural Network book
Jupyter Notebook GNU General Public License v2.0 UpdatedApr 12, 2021 -
pytorchTutorial Public
Forked from patrickloeber/pytorchTutorialPyTorch Tutorials from my YouTube channel
Python MIT License UpdatedMar 12, 2021 -
poltype-stable Public
Forked from pren/poltypeDocumentation
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openmm Public
Forked from openmm/openmmOpenMM is a toolkit for molecular simulation using high performance GPU code.
C++ UpdatedNov 2, 2020 -
forcebalance-1.3.2 Public
ForceBalance from Lee-Ping Wang, customized version for AMOEBA+ development based on v1.3.2
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PyTorch-Mini-Tutorials Public
Forked from vinhkhuc/PyTorch-Mini-TutorialsMinimal tutorials for PyTorch
Python UpdatedSep 16, 2020 -
forcebalance Public
Forked from leeping/forcebalanceSystematic force field optimization.
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quantum_database Public
Developing a quantum database that can be used to parametrize AMOEBA+ polarizable force field
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