☆18Dec 5, 2025Updated 7 months ago
Alternatives and similar repositories for boltz_ext
Users that are interested in boltz_ext are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Structure based DTI prediction using FSQ discretization☆17Apr 19, 2026Updated 3 months ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆28Oct 16, 2023Updated 2 years ago
- MiniFold: Simple, Fast and Accurate Protein Structure Prediction☆92Jul 10, 2025Updated last year
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 3 years 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.
- Public version for DistPepFold☆10Jul 17, 2025Updated last year
- ☆15Mar 5, 2026Updated 4 months ago
- ☆19Apr 7, 2025Updated last year
- ☆11Oct 1, 2021Updated 4 years ago
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 2 years ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 2023Updated 2 years ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆56Jun 19, 2025Updated last year
- ☆15Aug 8, 2025Updated 11 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Feb 29, 2024Updated 2 years ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆98May 16, 2026Updated 2 months ago
- Official code repository for the paper titled "Efficient Molecular Conformer Generation with SO(3) Averaged Flow-Matching and Reflow" (IC…☆16Jan 8, 2026Updated 6 months ago
- ☆60May 9, 2025Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆46Jun 26, 2024Updated 2 years ago
- 分子動力学法ステップ・バイ・ステップ☆17Oct 13, 2019Updated 6 years ago
- ☆53Apr 23, 2026Updated 2 months ago
- A tool for 2D protein visualization aimed at improving the comparability of protein structures through standardized 2D visualizations.☆22Mar 13, 2026Updated 4 months ago
- Generate customized voxel representations of protein-ligand complexes using GPU.☆11Sep 8, 2025Updated 10 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 4 months ago
- ☆17Jul 2, 2025Updated last year
- ☆19Mar 3, 2026Updated 4 months ago
- Run protein structure prediction, binder design, and embeddings on Tenstorrent hardware — Boltz-2, ESMFold2, Protenix-v2, OpenDDE, BoltzG…☆113Updated this week
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆19Dec 12, 2024Updated last year
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 3 weeks ago
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆17Mar 18, 2026Updated 4 months ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆54Updated this week
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆17Feb 4, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A unified tree search framework for molecular generation.☆20Jul 14, 2026Updated last week
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated last year
- [Neurips 2024] This repository is the official implementation of the Spatio-hemispherical equivariant convolution for dMRI deconvolution …☆13Dec 24, 2024Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 2 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆94May 9, 2026Updated 2 months ago
- ☆21May 28, 2025Updated last year
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year