Research scientist in molecular modeling and theoretical biophysics, PhD, doctor of sciences.
molar. Repository for molar crate and its dependencies
56pteros. Modern and fast molecular analysis and modeling library for C++ and Python
37QtGrace6. A port of Grace to QT6
9uni_rc_lock. Rust crate that provides a trait for universal reference-counted lock with internal mutability allowing multiple readers or a single writer, which may represent either `Rc<RefCell<T>>` or `Arc<RwLock<T>>`.
3EnCurv. Tools for maintaining predefined membrane curvature in MD simulations
3thiserror_string_context. Repository for thiserror_string_context crate
2umbr_int. Implementation of Umbrella Integration algorithm for unbiasing Umbrella Sampling simulations
1hccp. Hierarchical Clustering of Correlation Patterns (HCCP) algorithm
1powersasa-llm. C++
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