Language Breakdown
Lines of code distribution across 21 owned repositories
T-Shaped Developer
T-shapedDeep in Jupyter Notebook with broad versatility
Collaboration Network
Global Impact visualization
Repos
127
PRs
0
Growth
+18%
Top Collaborators
No collaborator data yet.
Coding Streak
Contribution activity over the past year
Top Repositories
FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.
Multistate Bennett Acceptance Ratio & Weighted Histogram Analysis Method
Automated Adaptive Absolute alchemical Free Energy calculator
Python package built on OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
This repo contains some scripts and data information for FEP-SPell-ABFE-benchmark.
Some practical theoretic background needed for running MD simulations
This repo is used to hold some public files and scripts on WeChat articles
MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water
A collections of scripts for working molecular dynamics simulations
Open Source Impact
Contributions to external projects
No external contributions found.