Chemistry PhD Student at Lancaster Uni | MSci Natural Sciences | Interested in mathematical chemistry, modelling of biological systems and chemical phenomena |
- Lancaster, United Kingdom
- @a_jassu
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gmx_ffconv
gmx_ffconv PublicA semi-automated force field converter for GROMACS. Enables users to easily convert a system between two all-atom force fields. Requires .itp's for each molecule type and a coordinate file for the …
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mldl-md-dynamics
mldl-md-dynamics PublicForked from sha256feng/mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
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