☆80Feb 17, 2026Updated 5 months ago
Alternatives and similar repositories for flowr
Users that are interested in flowr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆146Jul 14, 2026Updated 3 weeks ago
- Efficient 3D molecular generation with flow-matching and Semla☆62Jun 3, 2026Updated 2 months ago
- ☆15Apr 30, 2025Updated last year
- Multi-domain Distribution Learning for De Novo Drug Design☆162Jan 26, 2026Updated 6 months ago
- Structure-based fragment identification in latent space☆31Mar 4, 2026Updated 5 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Augmented Memory and Beam Enumeration implementation☆28Jun 9, 2024Updated 2 years ago
- LillyMol Public Code☆17Updated this week
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 5 months ago
- ☆40Feb 20, 2026Updated 5 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆35Jul 24, 2026Updated 2 weeks ago
- ☆42Mar 26, 2025Updated last year
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆17Jul 7, 2024Updated 2 years ago
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆33Apr 25, 2025Updated last year
- 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.
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆55Updated this week
- ☆20Dec 5, 2024Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆94Mar 31, 2026Updated 4 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆143Sep 3, 2025Updated 11 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆23Oct 2, 2024Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- Official repository for MolCRAFT series☆159Oct 27, 2025Updated 9 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆214Apr 26, 2026Updated 3 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.
- ☆18May 16, 2026Updated 2 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆90Jun 17, 2026Updated last month
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 3 months ago
- ☆32Aug 28, 2025Updated 11 months ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆32May 2, 2026Updated 3 months ago
- ☆158Jul 31, 2025Updated last year
- ☆46Jul 13, 2025Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆39Jul 15, 2026Updated 3 weeks ago
- ☆88Jan 11, 2025Updated last year
- 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.
- PLaTITO is an open-source model for generative molecular dynamics of proteins.☆25May 6, 2026Updated 3 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- ☆24Jul 20, 2026Updated 3 weeks ago
- Repository for Q and Q-FEP modules☆27Updated this week
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated last year
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 4 months ago
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆19Jul 7, 2026Updated last month