Joseph-Ellaway / Ramachandran_PlotterLinks
Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides in the Top8000 PDB data set.
☆12Updated 8 months ago
Alternatives and similar repositories for Ramachandran_Plotter
Users that are interested in Ramachandran_Plotter are comparing it to the libraries listed below
Sorting:
- ☆14Updated 10 months ago
- Force Fields☆66Updated 9 months ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 5 months ago
- ReaSyn is a model for predicting a molecule's synthesis pathway, reaction steps from building blocks to final product(s), using an encode…☆49Updated last week
- Deep generative modeling of protein structural ensembles☆29Updated last month
- ☆69Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated 3 weeks ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆57Updated 6 months ago
- ☆34Updated last year
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆57Updated last month
- Convert coarse-grained protein structure to all-atom model☆46Updated 5 months ago
- The public versio☆67Updated 2 years ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆41Updated 2 weeks ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Updated last year
- Automated Adaptive Absolute alchemical Free Energy calculator☆113Updated 2 weeks ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆47Updated 4 months ago
- Generate intrinsically disordered peptide conformations via machine learning☆24Updated last year
- A benchmark dataset for protein-ligand co-folding prediction☆36Updated 2 months ago
- Repository for the 2024 OpenFE industry benchmark efforts☆25Updated last month
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆51Updated 5 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆117Updated 3 weeks ago
- MDANCE is a flexible n-ary clustering package for all applications.☆82Updated this week
- Random Acceleration Molecular Dynamics in GROMACS☆40Updated last year
- ☆73Updated 5 months ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆57Updated 7 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆64Updated 5 months ago
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆20Updated 5 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆122Updated 2 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆43Updated last month