☆42Mar 26, 2025Updated last year
Alternatives and similar repositories for transpharmer-repo
Users that are interested in transpharmer-repo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Oct 9, 2024Updated last year
- ☆11May 25, 2026Updated 2 months ago
- ☆13Oct 9, 2024Updated last year
- ☆13Jul 5, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆23Oct 2, 2024Updated last year
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- ☆15Aug 8, 2025Updated 11 months ago
- 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 last month
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆16Mar 17, 2025Updated last year
- ☆21May 28, 2025Updated last year
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- ☆28Oct 31, 2022Updated 3 years ago
- ☆24Aug 18, 2025Updated 11 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆31Jun 9, 2026Updated last month
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- A unified tree search framework for molecular generation.☆20Jul 21, 2026Updated last week
- POLYGON VAE For de novo Polypharmacology☆43Mar 5, 2025Updated last year
- ☆79Feb 17, 2026Updated 5 months ago
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆33Apr 25, 2025Updated last year
- ☆22Apr 20, 2025Updated last year
- 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.
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- ☆15Apr 30, 2025Updated last year
- material for cheminfo tutorial☆13Oct 26, 2023Updated 2 years ago
- ☆66Nov 28, 2023Updated 2 years ago
- ☆20Jul 3, 2024Updated 2 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆34Updated this week
- ☆18May 16, 2026Updated 2 months ago
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 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.
- A universal structure-directed lead optimization☆76Jan 30, 2026Updated 5 months ago
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 7 months ago
- ☆23Mar 11, 2023Updated 3 years ago
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- few-shot compound activity regression☆12Aug 19, 2024Updated last year