☆55Jan 15, 2026Updated 5 months ago
Alternatives and similar repositories for roshambo2
Users that are interested in roshambo2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Jul 30, 2024Updated last year
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- ☆14Jul 7, 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.
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 10 months ago
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated 4 months ago
- ☆14May 15, 2024Updated 2 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 2 months ago
- chemalot: a command-line cheminformatics open-source package☆40Jun 4, 2023Updated 3 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years 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 week
- ☆39Jun 24, 2024Updated 2 years ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆31May 2, 2026Updated 2 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.
- ☆41Nov 2, 2024Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆101Feb 24, 2025Updated last year
- ☆13Jul 5, 2024Updated 2 years ago
- A graph-based workflow manager for computational chemistry pipelines☆79Feb 18, 2026Updated 4 months ago
- Fully automated high-throughput MD pipeline☆100Mar 11, 2026Updated 3 months ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Jun 17, 2026Updated 2 weeks 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.
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- ☆29Feb 27, 2026Updated 4 months ago
- Code used to mine surfaces.☆34Feb 23, 2025Updated last year
- An implementation of the Solubility Forecast Index (SFI)☆25Oct 6, 2025Updated 8 months ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆65Dec 17, 2025Updated 6 months ago
- ☆60May 9, 2025Updated last year
- Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations…☆13Mar 12, 2026Updated 3 months ago
- ☆100Aug 23, 2024Updated last year
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 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.
- A potential solution to the early-stage small molecule hit identification☆16May 28, 2026Updated last month
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated last month
- Computer-aided synthesis planning☆56Updated this week
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- The Chemical Data Processing Toolkit☆123Jun 25, 2026Updated last week
- ☆20Jul 3, 2024Updated 2 years ago