maltesie / bridge2
GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.
☆9Updated last year
Alternatives and similar repositories for bridge2:
Users that are interested in bridge2 are comparing it to the libraries listed below
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆13Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 4 months ago
- Code for ApoDock☆19Updated last month
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Updated 3 weeks ago
- ☆12Updated last year
- Some scripts that I keep using over and over.☆18Updated last month
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 4 months ago
- DyNoPy☆11Updated 5 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆13Updated last month
- Code for deep learning guided design of dynamic proteins☆17Updated 7 months ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…