tiwarylab / State-Predictive-Information-BottleneckLinks
☆26Updated 2 years ago
Alternatives and similar repositories for State-Predictive-Information-Bottleneck
Users that are interested in State-Predictive-Information-Bottleneck are comparing it to the libraries listed below
Sorting:
- Tools to build coarse grained models and perform simulations with OpenMM☆24Updated 2 years ago
- ☆28Updated last year
- ☆29Updated last year
- ☆40Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆38Updated last year
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆37Updated 5 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated 3 weeks ago
- ☆37Updated 11 months ago
- Analysis of non-covalent interactions in MD trajectories☆59Updated 7 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated 3 months ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆24Updated 4 years ago
- ☆68Updated last year
- ☆12Updated last year
- ☆22Updated last month
- ☆33Updated 9 months ago
- Adding hydrogens to molecular models☆47Updated 9 months ago
- mdml: Deep Learning for Molecular Simulations☆43Updated 2 months ago
- Weighted Ensemble Data Analysis and Plotting☆24Updated last month
- Restraintmaker is a tool intended to build Position or Distance restraints for Molecular Dynamics simulations (or any other simulation te…☆19Updated 2 years ago
- Software package for FEP☆18Updated 3 weeks ago
- ☆44Updated 3 years ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆52Updated last month
- ☆65Updated 2 weeks ago
- Force Fields☆64Updated 6 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Updated last year
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆26Updated 3 weeks ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 4 years ago