☆23Mar 8, 2024Updated 2 years ago
Alternatives and similar repositories for voxmol
Users that are interested in voxmol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆39Jun 30, 2024Updated 2 years ago
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- ☆32Aug 28, 2025Updated 10 months ago
- ☆18May 16, 2026Updated 2 months ago
- few-shot compound activity regression☆12Aug 19, 2024Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆158Jul 31, 2025Updated 11 months ago
- Code for GP-MoLFormer + pair-tuning☆17Sep 18, 2025Updated 10 months ago
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 2 years ago
- Official repository for MolCRAFT series☆157Oct 27, 2025Updated 8 months ago
- Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >☆327Sep 14, 2025Updated 10 months ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆23Aug 8, 2024Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆48Jul 4, 2025Updated last year
- A bot for automatically completing the KAIST safety course☆11Aug 29, 2023Updated 2 years ago
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆19Feb 23, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Download and read data from CVRPLIB: http://vrp.atd-lab.inf.puc-rio.br/index.php/en/☆13Jan 23, 2026Updated 5 months ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆21Mar 31, 2024Updated 2 years ago
- ☆16Feb 20, 2024Updated 2 years ago
- ☆19Oct 26, 2024Updated last year
- Scripts for the creation of CryptoBench, a new dataset of cryptic binding sites☆15Jun 24, 2026Updated 3 weeks ago
- QGFN: Controllable Greediness with Action Values - Code☆11May 17, 2024Updated 2 years ago
- 2D portraits of 3D protein structures☆27May 14, 2026Updated 2 months ago
- ☆88Jan 11, 2025Updated last year
- gpu implementation mopac☆16Oct 11, 2025Updated 9 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆11May 10, 2024Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- Official JAX implementation of Riemannian Mean Flow for flow map learning on manifolds.☆22Jul 2, 2026Updated 2 weeks ago
- A GFlowNet with a chemical synthesis action space.☆135Jan 31, 2025Updated last year
- Open Source Mycetoma's First Series of Molecules☆10Sep 22, 2025Updated 9 months ago
- MOPAC wrapper providing the PM6-ML correction☆23Mar 23, 2026Updated 3 months ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 3 months ago
- Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with Mo…☆32May 18, 2026Updated 2 months ago
- ☆105Feb 15, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆23Nov 6, 2023Updated 2 years ago
- Open-source protein-based pharmacophore modeling software☆42Feb 15, 2025Updated last year
- Detect and characterize binding pockets from molecular simulations.☆19Mar 17, 2026Updated 4 months ago
- A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files☆13Apr 29, 2024Updated 2 years ago
- A Julia wrapper for the Lin-Kernighan-Helsgaun (LKH) solver.☆18Mar 15, 2023Updated 3 years ago
- ☆14Mar 16, 2023Updated 3 years ago
- ☆23Feb 3, 2026Updated 5 months ago