Croydon-Brixton / pymol-remote
Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)
☆26Updated last month
Alternatives and similar repositories for pymol-remote:
Users that are interested in pymol-remote are comparing it to the libraries listed below
- It's a package for evaluation of predicted poses, right?☆46Updated this week
- Pose checks for 3D Structure-based Drug Design methods☆80Updated 5 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 3 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆40Updated 4 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆91Updated last month
- TMol☆32Updated 3 weeks ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆46Updated last week
- ☆66Updated last year
- A benchmark for 3D biomolecular structure prediction models☆56Updated 3 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆68Updated 3 weeks ago
- ☆29Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆73Updated 9 months ago
- ☆79Updated last year
- ☆85Updated 6 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆75Updated last year
- ☆27Updated last year
- Structure-conditioned masked language modeling for protein sequence design☆62Updated last year
- ☆38Updated last year
- This repository implements Gibbs sampling with Graph-based Smoothing☆38Updated 10 months ago
- ☆68Updated 9 months ago
- Convert coarse-grained protein structure to all-atom model☆37Updated 9 months ago
- Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction (ISMB 2025)☆85Updated last week
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆54Updated last year
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆73Updated last month
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆80Updated 2 months ago
- protein structure generation with sparse all-atom denoising models☆30Updated 2 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆33Updated 10 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆63Updated 4 months ago
- ☆35Updated last year
- an ultra-fast and accurate program for deterministic protein sidechain packing☆30Updated last month