Search Results for "md"
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Showing 4 open source projects for "md"
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1
BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
...To reconstruct the side-chains, several tools are available. As an example, we interface with HPacker to conduct side-chain reconstruction and also provide basic tooling for running a short molecular dynamics (MD) equilibration. -
2
DB-GPT
Revolutionizing Database Interactions with Private LLM Technology
DB-GPT is an experimental open-source project that uses localized GPT large models to interact with your data and environment. With this solution, you can be assured that there is no risk of data leakage, and your data is 100% private and secure. -
3
DocWire SDK
Award-winning modern data processing SDK in C++20
DocWire SDK, a standout C++20AI driven data processing tool, has received award from SourceForge and strong backing from Microsoft. It handles nearly 100 file types, empowering efficient text extraction, web data extraction, and document analysis. For businesses, the shift to DocWire SDK signifies a leap forward. It promises comprehensive document format support and the ability to extract valuable insights from email boxes, databases, and websites using cutting-edge AI. DocWire SDK aims to... -
4
ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
...It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies. https://cbbio.online/software/protpos/ -
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