☆68Apr 28, 2025Updated 10 months ago
Alternatives and similar repositories for logmd
Users that are interested in logmd are comparing it to the libraries listed below
Sorting:
- Slides + Iframe = sliFrame☆55Apr 6, 2025Updated 11 months ago
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆205Mar 5, 2026Updated 2 weeks ago
- ☆16Nov 2, 2024Updated last year
- ESMDynamic repo☆22Feb 25, 2026Updated 3 weeks ago
- A model-context-protocol server for molecules.☆90Apr 20, 2025Updated 11 months ago
- Yasara plugins for Gromacs users☆33Jan 8, 2024Updated 2 years ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Jun 19, 2025Updated 9 months ago
- PandaDock: Physics based Molecular Docking with GNN Scoring☆95Feb 25, 2026Updated 3 weeks ago
- Molecular Dynamics for Experimentalists☆65Nov 18, 2025Updated 4 months ago
- Ligand-Protein Interaction Mapping☆81May 1, 2025Updated 10 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆115Feb 9, 2026Updated last month
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Feb 25, 2026Updated 3 weeks ago
- mdml: Deep Learning for Molecular Simulations☆53May 17, 2025Updated 10 months ago
- DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.☆31Mar 4, 2025Updated last year
- Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing☆23Aug 5, 2021Updated 4 years ago
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆775Updated this week
- Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides …☆13Feb 25, 2025Updated last year
- ☆78Dec 15, 2025Updated 3 months ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆121May 27, 2025Updated 9 months ago
- Let LLM run your MDs.☆253Sep 18, 2025Updated 6 months ago
- ☆51Mar 24, 2025Updated 11 months ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆148Feb 12, 2025Updated last year
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆179Sep 19, 2025Updated 6 months ago
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated last year
- Cloud-based molecular simulations for everyone☆475Jan 20, 2026Updated 2 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆47Jan 28, 2026Updated last month
- A universal ML model to predict molecular dynamics trajectories with long time steps☆42Mar 1, 2026Updated 3 weeks ago
- Optimize classical force field parameters against reference data☆10Mar 13, 2026Updated last week
- ☆13Dec 5, 2024Updated last year
- ☆242Feb 12, 2026Updated last month
- Code for ApoDock☆21Apr 7, 2025Updated 11 months ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 4 months ago
- Useful Collective Variables for OpenMM☆17May 9, 2024Updated last year
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- Model for predicting micro-millisecond motions from protein sequence and/or structure☆77Feb 2, 2026Updated last month
- ☆68Oct 23, 2025Updated 4 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆129Sep 3, 2025Updated 6 months ago
- Extension of ThermoMPNN for double mutant predictions☆56Oct 8, 2025Updated 5 months ago