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xiaobolinlin's Projects

diffmol icon diffmol

Generative diffusion model for molecule/drug discovery

foyer icon foyer

A package for atom-typing as well as applying and disseminating forcefields

gmso icon gmso

Flexible storage of chemical topology for molecular simulation

io2d icon io2d

Reference Implementations of ISO C++ N3888

leetcode icon leetcode

LeetCode Solutions: A Record of My Problem Solving Journey.( leetcode题解,记录自己的leetcode解题之路。)

mbuild icon mbuild

A hierarchical, component based molecule builder

mdtraj icon mdtraj

An open library for the analysis of molecular dynamics trajectories

mosdef_tutorials icon mosdef_tutorials

A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit

pairing icon pairing

analyze pairing and clustering of molecular systems

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