Deep Generative Models: Diffusion Models for Molecule Generation
☆10Jun 17, 2024Updated last year
Alternatives and similar repositories for probai
Users that are interested in probai are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular generation using diffusion models and autoregressive transformer models☆18Jan 7, 2026Updated 2 months ago
- ☆20Feb 16, 2024Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆40Nov 17, 2025Updated 4 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆26Nov 7, 2025Updated 4 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 4 months ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- This is for Meridian (Traditional Chinese Medicine conception) prediction by machining learning method.☆11Sep 30, 2019Updated 6 years ago
- A Python library for prediction of polymeric material properties.☆23May 6, 2022Updated 3 years ago
- Code for DBellQuant☆34Jan 30, 2026Updated last month
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆31Jan 21, 2026Updated 2 months ago
- Analytics dashboard for Claude Code prompts stored in MinIO☆55Updated this week
- ☆26May 14, 2025Updated 10 months ago
- ☆10Feb 21, 2022Updated 4 years ago
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆18Jun 1, 2024Updated last year
- ☆14Apr 15, 2024Updated last year
- ☆16Apr 30, 2025Updated 10 months ago
- Render viral capsids in the browser and export SVG.☆12Aug 19, 2025Updated 7 months ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆25Nov 7, 2024Updated last year
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 5 years ago
- rule-based virtual polymer library generator☆48Dec 23, 2025Updated 3 months ago
- ☆16Sep 9, 2025Updated 6 months ago
- BiomeNED main code☆12Jul 25, 2019Updated 6 years ago
- Official code implementation of PremuNet model.☆16Jun 3, 2025Updated 9 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- 中医药术语识别，使用CNN-BILSTM-CRF模型对9000条训练数据和1000条测试数据进行处理，最终测试数据正确率为90+%。为方便使用，使用Tkinter对模型进行封装使用☆11Feb 21, 2020Updated 6 years ago
- ☆14May 22, 2025Updated 10 months ago
- ☆38May 22, 2024Updated last year
- ☆15Feb 3, 2023Updated 3 years ago
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆17Jun 12, 2025Updated 9 months ago
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 2 years ago
- A python library for replica exchange transition interface sampling with infinite swaps☆13Mar 18, 2026Updated last week
- Simple notebooks to learn diffusion models on toy datasets☆17Feb 9, 2023Updated 3 years ago
- ☆12May 13, 2022Updated 3 years ago
- This is a new deep-learning pipeline for AMP predictions☆16Mar 5, 2025Updated last year
- The repository for the generative pretrained model on polymer generation☆18Sep 26, 2025Updated 5 months ago
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆20Nov 22, 2025Updated 4 months ago
- A Python library for constructing polymer topologies and coordinates☆18Sep 23, 2025Updated 6 months ago