dongdawn / ridLinks
rid
☆23Updated 4 years ago
Alternatives and similar repositories for rid
Users that are interested in rid are comparing it to the libraries listed below
Sorting:
- ☆70Updated last year
- Tools to build coarse grained models and perform simulations with OpenMM☆25Updated 3 years ago
- Convert coarse-grained protein structure to all-atom model☆48Updated 7 months ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆12Updated 3 years ago
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆18Updated last week
- Force Fields☆66Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated this week
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Updated 6 years ago
- Trusted force field files for gromacs☆68Updated last year
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆20Updated 8 months ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆24Updated 4 years ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated last week
- ☆32Updated 2 years ago
- ☆80Updated 2 weeks ago
- Statistical models for biomolecular dynamics☆41Updated 8 months ago
- ☆24Updated 2 years ago
- ☆32Updated 2 years ago
- ☆25Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆43Updated last year
- Tool to predict water molecules placement and energy in ligand binding sites☆35Updated 4 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 4 years ago
- The public versio☆81Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆86Updated this week
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆44Updated 4 months ago
- A tutorials suite for BioSimSpace.☆34Updated 3 months ago
- ☆42Updated 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
- The official repository of Uni-pKa☆92Updated 10 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆46Updated 3 weeks ago