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 10 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:
- NMT based SMILES to IUPAC Translator☆15Updated 5 months ago
- ☆61Updated 6 months ago
- The public versio☆77Updated 2 years ago
- Force Fields☆66Updated 11 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆42Updated last month
- Automated Adaptive Absolute alchemical Free Energy calculator☆114Updated 2 months ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆52Updated 6 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last month
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- ☆41Updated this week
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated last week
- Diffusion-based molecule conformer generation☆45Updated last year
- MDANCE: O(N) clustering for molecular dynamics. Process 1.5M frames in 40min. 8 specialized algorithms.☆97Updated last month
- ☆70Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆65Updated 2 months ago
- ☆67Updated 8 months ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 7 months ago
- ☆49Updated 9 months ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆53Updated 7 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.☆60Updated 3 weeks ago
- Practical Cheminformatics Blog Posts☆67Updated last month
- ai_in_chemistry_workshop☆78Updated last year
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆24Updated 7 months ago
- Fully automated high-throughput MD pipeline☆86Updated 2 weeks ago
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆21Updated 7 months ago
- GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to crea…☆147Updated 3 weeks ago
- ☆80Updated 2 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆84Updated 5 months ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆44Updated last week
- ☆15Updated last year